Entering Gaussian System, Link 0=/usr/local/apps/chemistry/gaussian/g03.c02/g03/g03 Input=input.com Output=nad.out Initial command: /usr/local/apps/chemistry/gaussian/g03.c02/g03/l1.exe /scratch/batch/cu12.338256.0/Gau-2940970.inp -scrdir=/scratch/batch/cu12.338256.0/ Entering Link 1 = /usr/local/apps/chemistry/gaussian/g03.c02/g03/l1.exe PID= 2523244. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, Gaussian, Inc. All Rights Reserved. This is the Gaussian(R) 03 program. It is based on the the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 03, Revision C.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004. ****************************************** Gaussian 03: IBM64-G03RevC.02 12-Jun-2004 13-Jul-2005 ****************************************** %chk=nad ------------------------------------------------------------ #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt ------------------------------------------------------------ 1/18=20,38=1/1,3; 2/9=110,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,16=1,25=1,30=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20/3(1); 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,16=1,25=1,30=1/1,2,3; 4/5=5,16=3/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = -1 Multiplicity = 1 15 1.10381 -0.3592 -1.44565 8 2.50246 -0.2948 -2.20975 15 3.85306 0.61844 -2.0934 8 4.45671 0.01726 -0.67712 6 5.59096 -0.7859 -0.58583 6 5.36487 -1.8837 0.44419 6 4.30149 -2.93486 0.10062 6 3.0555 -2.26337 0.6506 6 3.60451 -1.65568 1.93524 7 2.80886 -0.44908 2.33006 6 1.68111 -0.66063 3.02507 6 0.87863 0.3782 3.39427 6 1.24363 1.66805 3.02142 6 2.37312 1.86684 2.25622 6 2.73325 3.26949 1.83878 7 3.36227 3.40198 0.67101 8 2.45988 4.17898 2.58488 6 3.13835 0.76973 1.91144 8 4.90952 -1.3096 1.68564 8 1.92982 -3.02588 0.85811 8 4.52929 -4.12714 0.80859 8 4.75344 0.21135 -3.17273 8 3.48628 2.01234 -1.79008 8 0.14539 0.37029 -2.5153 6 -1.21917 0.06939 -2.62049 6 -2.05582 1.12551 -1.9144 6 -1.9887 1.1705 -0.38176 6 -3.35944 1.75395 -0.04206 6 -4.25472 1.16978 -1.13545 7 -4.97627 -0.03064 -0.71255 6 -6.12365 -0.06203 0.02001 7 -6.8209 0.95793 0.51475 6 -7.88943 0.55491 1.15798 7 -8.32081 -0.6867 1.35941 6 -7.60421 -1.68728 0.86574 7 -8.01212 -2.9574 1.09317 6 -6.44194 -1.39664 0.14874 7 -5.51527 -2.1845 -0.5013 6 -4.67945 -1.34098 -0.99053 8 -3.42223 0.82268 -2.1917 8 -3.34009 3.14045 -0.20804 8 -1.00828 1.99325 0.14514 8 1.15584 0.45732 -0.19849 8 0.69505 -1.77877 -1.29939 1 6.4299 -0.17783 -0.25974 1 5.84486 -1.21928 -1.54416 1 6.31237 -2.36489 0.65678 1 4.22063 -3.11575 -0.96452 1 2.85033 -1.4424 -0.00202 1 3.53273 -2.33307 2.77455 1 1.45955 -1.68135 3.26004 1 -0.01643 0.18739 3.95283 1 0.6504 2.5156 3.30468 1 3.54005 4.34212 0.39203 1 3.3169 2.7347 -0.09332 1 4.01409 0.83986 1.30593 1 1.31534 -2.78598 0.15285 1 5.20456 -4.62911 0.37506 1 -1.42803 -0.91409 -2.22055 1 -1.47381 0.07042 -3.67256 1 -1.81379 2.10527 -2.30677 1 -1.90802 0.15762 0.00948 1 -3.70533 1.4902 0.95103 1 -4.9913 1.89613 -1.4428 1 -8.50675 1.32743 1.58085 1 -7.60971 -3.68113 0.54207 1 -8.94838 -3.08096 1.40438 1 -3.82519 -1.59515 -1.57858 1 -2.47252 3.44102 0.04182 1 -0.14363 1.57 0.02774 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5951 estimate D2E/DX2 ! ! R2 R(1,24) 1.6109 estimate D2E/DX2 ! ! R3 R(1,43) 1.4916 estimate D2E/DX2 ! ! R4 R(1,44) 1.4845 estimate D2E/DX2 ! ! R5 R(2,3) 1.6345 estimate D2E/DX2 ! ! R6 R(3,4) 1.6528 estimate D2E/DX2 ! ! R7 R(3,22) 1.4633 estimate D2E/DX2 ! ! R8 R(3,23) 1.4729 estimate D2E/DX2 ! ! R9 R(4,5) 1.3928 estimate D2E/DX2 ! ! R10 R(5,6) 1.5222 estimate D2E/DX2 ! ! R11 R(5,45) 1.0862 estimate D2E/DX2 ! ! R12 R(5,46) 1.082 estimate D2E/DX2 ! ! R13 R(6,7) 1.5342 estimate D2E/DX2 ! ! R14 R(6,19) 1.4416 estimate D2E/DX2 ! ! R15 R(6,47) 1.0837 estimate D2E/DX2 ! ! R16 R(7,8) 1.5185 estimate D2E/DX2 ! ! R17 R(7,21) 1.4052 estimate D2E/DX2 ! ! R18 R(7,48) 1.0834 estimate D2E/DX2 ! ! R19 R(8,9) 1.5235 estimate D2E/DX2 ! ! R20 R(8,20) 1.3754 estimate D2E/DX2 ! ! R21 R(8,49) 1.0686 estimate D2E/DX2 ! ! R22 R(9,10) 1.4983 estimate D2E/DX2 ! ! R23 R(9,19) 1.373 estimate D2E/DX2 ! ! R24 R(9,50) 1.081 estimate D2E/DX2 ! ! R25 R(10,11) 1.3415 estimate D2E/DX2 ! ! R26 R(10,18) 1.3301 estimate D2E/DX2 ! ! R27 R(11,12) 1.3636 estimate D2E/DX2 ! ! R28 R(11,51) 1.0706 estimate D2E/DX2 ! ! R29 R(12,13) 1.3914 estimate D2E/DX2 ! ! R30 R(12,52) 1.0722 estimate D2E/DX2 ! ! R31 R(13,14) 1.3787 estimate D2E/DX2 ! ! R32 R(13,53) 1.0726 estimate D2E/DX2 ! ! R33 R(14,15) 1.5071 estimate D2E/DX2 ! ! R34 R(14,18) 1.3813 estimate D2E/DX2 ! ! R35 R(15,16) 1.333 estimate D2E/DX2 ! ! R36 R(15,17) 1.2077 estimate D2E/DX2 ! ! R37 R(16,54) 0.9966 estimate D2E/DX2 ! ! R38 R(16,55) 1.0156 estimate D2E/DX2 ! ! R39 R(18,56) 1.067 estimate D2E/DX2 ! ! R40 R(20,57) 0.9657 estimate D2E/DX2 ! ! R41 R(21,58) 0.9465 estimate D2E/DX2 ! ! R42 R(24,25) 1.4013 estimate D2E/DX2 ! ! R43 R(25,26) 1.5212 estimate D2E/DX2 ! ! R44 R(25,59) 1.082 estimate D2E/DX2 ! ! R45 R(25,60) 1.0824 estimate D2E/DX2 ! ! R46 R(26,27) 1.5348 estimate D2E/DX2 ! ! R47 R(26,40) 1.4268 estimate D2E/DX2 ! ! R48 R(26,61) 1.0828 estimate D2E/DX2 ! ! R49 R(27,28) 1.528 estimate D2E/DX2 ! ! R50 R(27,42) 1.3841 estimate D2E/DX2 ! ! R51 R(27,62) 1.0888 estimate D2E/DX2 ! ! R52 R(28,29) 1.5291 estimate D2E/DX2 ! ! R53 R(28,41) 1.3965 estimate D2E/DX2 ! ! R54 R(28,63) 1.0842 estimate D2E/DX2 ! ! R55 R(29,30) 1.463 estimate D2E/DX2 ! ! R56 R(29,40) 1.3889 estimate D2E/DX2 ! ! R57 R(29,64) 1.0792 estimate D2E/DX2 ! ! R58 R(30,31) 1.3617 estimate D2E/DX2 ! ! R59 R(30,39) 1.372 estimate D2E/DX2 ! ! R60 R(31,32) 1.3309 estimate D2E/DX2 ! ! R61 R(31,37) 1.3781 estimate D2E/DX2 ! ! R62 R(32,33) 1.3107 estimate D2E/DX2 ! ! R63 R(33,34) 1.3298 estimate D2E/DX2 ! ! R64 R(33,65) 1.0755 estimate D2E/DX2 ! ! R65 R(34,35) 1.326 estimate D2E/DX2 ! ! R66 R(35,36) 1.3533 estimate D2E/DX2 ! ! R67 R(35,37) 1.3962 estimate D2E/DX2 ! ! R68 R(36,66) 0.9947 estimate D2E/DX2 ! ! R69 R(36,67) 0.9943 estimate D2E/DX2 ! ! R70 R(37,38) 1.3791 estimate D2E/DX2 ! ! R71 R(38,39) 1.2843 estimate D2E/DX2 ! ! R72 R(39,68) 1.0678 estimate D2E/DX2 ! ! R73 R(41,69) 0.9516 estimate D2E/DX2 ! ! R74 R(42,70) 0.9698 estimate D2E/DX2 ! ! R75 R(43,70) 1.7256 estimate D2E/DX2 ! ! R76 R(44,57) 1.873 estimate D2E/DX2 ! ! A1 A(2,1,24) 100.6805 estimate D2E/DX2 ! ! A2 A(2,1,43) 110.356 estimate D2E/DX2 ! ! A3 A(2,1,44) 109.1027 estimate D2E/DX2 ! ! A4 A(24,1,43) 109.1513 estimate D2E/DX2 ! ! A5 A(24,1,44) 109.5516 estimate D2E/DX2 ! ! A6 A(43,1,44) 116.7887 estimate D2E/DX2 ! ! A7 A(1,2,3) 135.4801 estimate D2E/DX2 ! ! A8 A(2,3,4) 99.1818 estimate D2E/DX2 ! ! A9 A(2,3,22) 107.4861 estimate D2E/DX2 ! ! A10 A(2,3,23) 109.7329 estimate D2E/DX2 ! ! A11 A(4,3,22) 107.8262 estimate D2E/DX2 ! ! A12 A(4,3,23) 104.994 estimate D2E/DX2 ! ! A13 A(22,3,23) 124.6368 estimate D2E/DX2 ! ! A14 A(3,4,5) 124.2876 estimate D2E/DX2 ! ! A15 A(4,5,6) 109.832 estimate D2E/DX2 ! ! A16 A(4,5,45) 109.0153 estimate D2E/DX2 ! ! A17 A(4,5,46) 111.3472 estimate D2E/DX2 ! ! A18 A(6,5,45) 108.3783 estimate D2E/DX2 ! ! A19 A(6,5,46) 110.2008 estimate D2E/DX2 ! ! A20 A(45,5,46) 107.9921 estimate D2E/DX2 ! ! A21 A(5,6,7) 116.4571 estimate D2E/DX2 ! ! A22 A(5,6,19) 110.0246 estimate D2E/DX2 ! ! A23 A(5,6,47) 108.8498 estimate D2E/DX2 ! ! A24 A(7,6,19) 104.2867 estimate D2E/DX2 ! ! A25 A(7,6,47) 110.2247 estimate D2E/DX2 ! ! A26 A(19,6,47) 106.5023 estimate D2E/DX2 ! ! A27 A(6,7,8) 100.6403 estimate D2E/DX2 ! ! A28 A(6,7,21) 110.8633 estimate D2E/DX2 ! ! A29 A(6,7,48) 112.7237 estimate D2E/DX2 ! ! A30 A(8,7,21) 109.01 estimate D2E/DX2 ! ! A31 A(8,7,48) 111.6337 estimate D2E/DX2 ! ! A32 A(21,7,48) 111.4544 estimate D2E/DX2 ! ! A33 A(7,8,9) 100.7255 estimate D2E/DX2 ! ! A34 A(7,8,20) 118.7546 estimate D2E/DX2 ! ! A35 A(7,8,49) 106.0255 estimate D2E/DX2 ! ! A36 A(9,8,20) 112.8841 estimate D2E/DX2 ! ! A37 A(9,8,49) 106.1232 estimate D2E/DX2 ! ! A38 A(20,8,49) 111.1561 estimate D2E/DX2 ! ! A39 A(8,9,10) 110.6138 estimate D2E/DX2 ! ! A40 A(8,9,19) 106.8441 estimate D2E/DX2 ! ! A41 A(8,9,50) 112.3847 estimate D2E/DX2 ! ! A42 A(10,9,19) 110.4669 estimate D2E/DX2 ! ! A43 A(10,9,50) 105.3553 estimate D2E/DX2 ! ! A44 A(19,9,50) 111.237 estimate D2E/DX2 ! ! A45 A(9,10,11) 117.1264 estimate D2E/DX2 ! ! A46 A(9,10,18) 121.563 estimate D2E/DX2 ! ! A47 A(11,10,18) 121.0503 estimate D2E/DX2 ! ! A48 A(10,11,12) 120.9885 estimate D2E/DX2 ! ! A49 A(10,11,51) 115.9786 estimate D2E/DX2 ! ! A50 A(12,11,51) 123.0324 estimate D2E/DX2 ! ! A51 A(11,12,13) 118.6387 estimate D2E/DX2 ! ! A52 A(11,12,52) 119.7861 estimate D2E/DX2 ! ! A53 A(13,12,52) 121.573 estimate D2E/DX2 ! ! A54 A(12,13,14) 119.8217 estimate D2E/DX2 ! ! A55 A(12,13,53) 121.1082 estimate D2E/DX2 ! ! A56 A(14,13,53) 119.0612 estimate D2E/DX2 ! ! A57 A(13,14,15) 118.9259 estimate D2E/DX2 ! ! A58 A(13,14,18) 118.5456 estimate D2E/DX2 ! ! A59 A(15,14,18) 122.5261 estimate D2E/DX2 ! ! A60 A(14,15,16) 116.6097 estimate D2E/DX2 ! ! A61 A(14,15,17) 118.4032 estimate D2E/DX2 ! ! A62 A(16,15,17) 124.9709 estimate D2E/DX2 ! ! A63 A(15,16,54) 115.034 estimate D2E/DX2 ! ! A64 A(15,16,55) 124.9521 estimate D2E/DX2 ! ! A65 A(54,16,55) 114.6495 estimate D2E/DX2 ! ! A66 A(10,18,14) 120.7956 estimate D2E/DX2 ! ! A67 A(10,18,56) 116.2403 estimate D2E/DX2 ! ! A68 A(14,18,56) 122.9642 estimate D2E/DX2 ! ! A69 A(6,19,9) 110.8798 estimate D2E/DX2 ! ! A70 A(8,20,57) 105.8365 estimate D2E/DX2 ! ! A71 A(7,21,58) 109.5635 estimate D2E/DX2 ! ! A72 A(1,24,25) 122.1394 estimate D2E/DX2 ! ! A73 A(24,25,26) 110.5891 estimate D2E/DX2 ! ! A74 A(24,25,59) 110.8169 estimate D2E/DX2 ! ! A75 A(24,25,60) 107.5676 estimate D2E/DX2 ! ! A76 A(26,25,59) 110.6901 estimate D2E/DX2 ! ! A77 A(26,25,60) 108.7303 estimate D2E/DX2 ! ! A78 A(59,25,60) 108.3425 estimate D2E/DX2 ! ! A79 A(25,26,27) 117.3764 estimate D2E/DX2 ! ! A80 A(25,26,40) 106.8082 estimate D2E/DX2 ! ! A81 A(25,26,61) 109.6985 estimate D2E/DX2 ! ! A82 A(27,26,40) 104.0156 estimate D2E/DX2 ! ! A83 A(27,26,61) 108.9995 estimate D2E/DX2 ! ! A84 A(40,26,61) 109.6145 estimate D2E/DX2 ! ! A85 A(26,27,28) 101.1847 estimate D2E/DX2 ! ! A86 A(26,27,42) 115.3759 estimate D2E/DX2 ! ! A87 A(26,27,62) 109.5603 estimate D2E/DX2 ! ! A88 A(28,27,42) 108.8948 estimate D2E/DX2 ! ! A89 A(28,27,62) 109.9869 estimate D2E/DX2 ! ! A90 A(42,27,62) 111.3274 estimate D2E/DX2 ! ! A91 A(27,28,29) 102.7317 estimate D2E/DX2 ! ! A92 A(27,28,41) 109.8924 estimate D2E/DX2 ! ! A93 A(27,28,63) 113.3878 estimate D2E/DX2 ! ! A94 A(29,28,41) 107.6023 estimate D2E/DX2 ! ! A95 A(29,28,63) 112.039 estimate D2E/DX2 ! ! A96 A(41,28,63) 110.7818 estimate D2E/DX2 ! ! A97 A(28,29,30) 113.2979 estimate D2E/DX2 ! ! A98 A(28,29,40) 106.7567 estimate D2E/DX2 ! ! A99 A(28,29,64) 110.2511 estimate D2E/DX2 ! ! A100 A(30,29,40) 108.0817 estimate D2E/DX2 ! ! A101 A(30,29,64) 107.3342 estimate D2E/DX2 ! ! A102 A(40,29,64) 111.1445 estimate D2E/DX2 ! ! A103 A(29,30,31) 126.1569 estimate D2E/DX2 ! ! A104 A(29,30,39) 128.1971 estimate D2E/DX2 ! ! A105 A(31,30,39) 105.6213 estimate D2E/DX2 ! ! A106 A(30,31,32) 128.5931 estimate D2E/DX2 ! ! A107 A(30,31,37) 105.4981 estimate D2E/DX2 ! ! A108 A(32,31,37) 125.9075 estimate D2E/DX2 ! ! A109 A(31,32,33) 111.9558 estimate D2E/DX2 ! ! A110 A(32,33,34) 128.7487 estimate D2E/DX2 ! ! A111 A(32,33,65) 116.1058 estimate D2E/DX2 ! ! A112 A(34,33,65) 115.1454 estimate D2E/DX2 ! ! A113 A(33,34,35) 118.2189 estimate D2E/DX2 ! ! A114 A(34,35,36) 118.8647 estimate D2E/DX2 ! ! A115 A(34,35,37) 118.9442 estimate D2E/DX2 ! ! A116 A(36,35,37) 122.1815 estimate D2E/DX2 ! ! A117 A(35,36,66) 117.8936 estimate D2E/DX2 ! ! A118 A(35,36,67) 116.9397 estimate D2E/DX2 ! ! A119 A(66,36,67) 117.6401 estimate D2E/DX2 ! ! A120 A(31,37,35) 116.2216 estimate D2E/DX2 ! ! A121 A(31,37,38) 110.7343 estimate D2E/DX2 ! ! A122 A(35,37,38) 133.0363 estimate D2E/DX2 ! ! A123 A(37,38,39) 103.9824 estimate D2E/DX2 ! ! A124 A(30,39,38) 114.161 estimate D2E/DX2 ! ! A125 A(30,39,68) 120.7966 estimate D2E/DX2 ! ! A126 A(38,39,68) 125.0368 estimate D2E/DX2 ! ! A127 A(26,40,29) 111.9117 estimate D2E/DX2 ! ! A128 A(28,41,69) 107.1595 estimate D2E/DX2 ! ! A129 A(27,42,70) 109.0278 estimate D2E/DX2 ! ! D1 D(24,1,2,3) 102.8925 estimate D2E/DX2 ! ! D2 D(43,1,2,3) -12.3253 estimate D2E/DX2 ! ! D3 D(44,1,2,3) -141.9113 estimate D2E/DX2 ! ! D4 D(2,1,24,25) 151.0332 estimate D2E/DX2 ! ! D5 D(43,1,24,25) -92.8488 estimate D2E/DX2 ! ! D6 D(44,1,24,25) 36.1741 estimate D2E/DX2 ! ! D7 D(1,2,3,4) 71.5816 estimate D2E/DX2 ! ! D8 D(1,2,3,22) -176.3291 estimate D2E/DX2 ! ! D9 D(1,2,3,23) -38.0764 estimate D2E/DX2 ! ! D10 D(2,3,4,5) 108.9961 estimate D2E/DX2 ! ! D11 D(22,3,4,5) -2.8246 estimate D2E/DX2 ! ! D12 D(23,3,4,5) -137.5902 estimate D2E/DX2 ! ! D13 D(3,4,5,6) -140.1601 estimate D2E/DX2 ! ! D14 D(3,4,5,45) 101.2326 estimate D2E/DX2 ! ! D15 D(3,4,5,46) -17.8109 estimate D2E/DX2 ! ! D16 D(4,5,6,7) 66.5467 estimate D2E/DX2 ! ! D17 D(4,5,6,19) -51.7963 estimate D2E/DX2 ! ! D18 D(4,5,6,47) -168.1486 estimate D2E/DX2 ! ! D19 D(45,5,6,7) -174.4538 estimate D2E/DX2 ! ! D20 D(45,5,6,19) 67.2032 estimate D2E/DX2 ! ! D21 D(45,5,6,47) -49.1491 estimate D2E/DX2 ! ! D22 D(46,5,6,7) -56.4802 estimate D2E/DX2 ! ! D23 D(46,5,6,19) -174.8232 estimate D2E/DX2 ! ! D24 D(46,5,6,47) 68.8245 estimate D2E/DX2 ! ! D25 D(5,6,7,8) -87.7706 estimate D2E/DX2 ! ! D26 D(5,6,7,21) 156.997 estimate D2E/DX2 ! ! D27 D(5,6,7,48) 31.2661 estimate D2E/DX2 ! ! D28 D(19,6,7,8) 33.6565 estimate D2E/DX2 ! ! D29 D(19,6,7,21) -81.5759 estimate D2E/DX2 ! ! D30 D(19,6,7,48) 152.6932 estimate D2E/DX2 ! ! D31 D(47,6,7,8) 147.6226 estimate D2E/DX2 ! ! D32 D(47,6,7,21) 32.3902 estimate D2E/DX2 ! ! D33 D(47,6,7,48) -93.3407 estimate D2E/DX2 ! ! D34 D(5,6,19,9) 111.6531 estimate D2E/DX2 ! ! D35 D(7,6,19,9) -13.9479 estimate D2E/DX2 ! ! D36 D(47,6,19,9) -130.5315 estimate D2E/DX2 ! ! D37 D(6,7,8,9) -39.3916 estimate D2E/DX2 ! ! D38 D(6,7,8,20) -163.1291 estimate D2E/DX2 ! ! D39 D(6,7,8,49) 71.0023 estimate D2E/DX2 ! ! D40 D(21,7,8,9) 77.2238 estimate D2E/DX2 ! ! D41 D(21,7,8,20) -46.5137 estimate D2E/DX2 ! ! D42 D(21,7,8,49) -172.3823 estimate D2E/DX2 ! ! D43 D(48,7,8,9) -159.2159 estimate D2E/DX2 ! ! D44 D(48,7,8,20) 77.0466 estimate D2E/DX2 ! ! D45 D(48,7,8,49) -48.8219 estimate D2E/DX2 ! ! D46 D(6,7,21,58) -80.3358 estimate D2E/DX2 ! ! D47 D(8,7,21,58) 169.7688 estimate D2E/DX2 ! ! D48 D(48,7,21,58) 46.102 estimate D2E/DX2 ! ! D49 D(7,8,9,10) 153.3298 estimate D2E/DX2 ! ! D50 D(7,8,9,19) 33.0506 estimate D2E/DX2 ! ! D51 D(7,8,9,50) -89.2254 estimate D2E/DX2 ! ! D52 D(20,8,9,10) -78.9801 estimate D2E/DX2 ! ! D53 D(20,8,9,19) 160.7407 estimate D2E/DX2 ! ! D54 D(20,8,9,50) 38.4647 estimate D2E/DX2 ! ! D55 D(49,8,9,10) 43.0117 estimate D2E/DX2 ! ! D56 D(49,8,9,19) -77.2675 estimate D2E/DX2 ! ! D57 D(49,8,9,50) 160.4565 estimate D2E/DX2 ! ! D58 D(7,8,20,57) -106.2625 estimate D2E/DX2 ! ! D59 D(9,8,20,57) 136.2195 estimate D2E/DX2 ! ! D60 D(49,8,20,57) 17.1049 estimate D2E/DX2 ! ! D61 D(8,9,10,11) 83.8311 estimate D2E/DX2 ! ! D62 D(8,9,10,18) -90.3664 estimate D2E/DX2 ! ! D63 D(19,9,10,11) -158.0801 estimate D2E/DX2 ! ! D64 D(19,9,10,18) 27.7223 estimate D2E/DX2 ! ! D65 D(50,9,10,11) -37.8526 estimate D2E/DX2 ! ! D66 D(50,9,10,18) 147.9499 estimate D2E/DX2 ! ! D67 D(8,9,19,6) -12.0728 estimate D2E/DX2 ! ! D68 D(10,9,19,6) -132.4461 estimate D2E/DX2 ! ! D69 D(50,9,19,6) 110.9205 estimate D2E/DX2 ! ! D70 D(9,10,11,12) -178.2588 estimate D2E/DX2 ! ! D71 D(9,10,11,51) 1.4986 estimate D2E/DX2 ! ! D72 D(18,10,11,12) -4.0297 estimate D2E/DX2 ! ! D73 D(18,10,11,51) 175.7278 estimate D2E/DX2 ! ! D74 D(9,10,18,14) 178.2754 estimate D2E/DX2 ! ! D75 D(9,10,18,56) -1.7657 estimate D2E/DX2 ! ! D76 D(11,10,18,14) 4.3042 estimate D2E/DX2 ! ! D77 D(11,10,18,56) -175.737 estimate D2E/DX2 ! ! D78 D(10,11,12,13) 0.7699 estimate D2E/DX2 ! ! D79 D(10,11,12,52) -179.761 estimate D2E/DX2 ! ! D80 D(51,11,12,13) -178.97 estimate D2E/DX2 ! ! D81 D(51,11,12,52) 0.4991 estimate D2E/DX2 ! ! D82 D(11,12,13,14) 2.1332 estimate D2E/DX2 ! ! D83 D(11,12,13,53) -178.9624 estimate D2E/DX2 ! ! D84 D(52,12,13,14) -177.326 estimate D2E/DX2 ! ! D85 D(52,12,13,53) 1.5784 estimate D2E/DX2 ! ! D86 D(12,13,14,15) 178.6902 estimate D2E/DX2 ! ! D87 D(12,13,14,18) -1.8637 estimate D2E/DX2 ! ! D88 D(53,13,14,15) -0.2366 estimate D2E/DX2 ! ! D89 D(53,13,14,18) 179.2095 estimate D2E/DX2 ! ! D90 D(13,14,15,16) -148.9612 estimate D2E/DX2 ! ! D91 D(13,14,15,17) 32.431 estimate D2E/DX2 ! ! D92 D(18,14,15,16) 31.6159 estimate D2E/DX2 ! ! D93 D(18,14,15,17) -146.9919 estimate D2E/DX2 ! ! D94 D(13,14,18,10) -1.3246 estimate D2E/DX2 ! ! D95 D(13,14,18,56) 178.7194 estimate D2E/DX2 ! ! D96 D(15,14,18,10) 178.1004 estimate D2E/DX2 ! ! D97 D(15,14,18,56) -1.8556 estimate D2E/DX2 ! ! D98 D(14,15,16,54) 176.4659 estimate D2E/DX2 ! ! D99 D(14,15,16,55) 23.8378 estimate D2E/DX2 ! ! D100 D(17,15,16,54) -5.0285 estimate D2E/DX2 ! ! D101 D(17,15,16,55) -157.6566 estimate D2E/DX2 ! ! D102 D(1,24,25,26) 100.6394 estimate D2E/DX2 ! ! D103 D(1,24,25,59) -22.495 estimate D2E/DX2 ! ! D104 D(1,24,25,60) -140.7577 estimate D2E/DX2 ! ! D105 D(24,25,26,27) -69.9094 estimate D2E/DX2 ! ! D106 D(24,25,26,40) 173.9022 estimate D2E/DX2 ! ! D107 D(24,25,26,61) 55.1764 estimate D2E/DX2 ! ! D108 D(59,25,26,27) 53.2985 estimate D2E/DX2 ! ! D109 D(59,25,26,40) -62.8899 estimate D2E/DX2 ! ! D110 D(59,25,26,61) 178.3844 estimate D2E/DX2 ! ! D111 D(60,25,26,27) 172.197 estimate D2E/DX2 ! ! D112 D(60,25,26,40) 56.0086 estimate D2E/DX2 ! ! D113 D(60,25,26,61) -62.7171 estimate D2E/DX2 ! ! D114 D(25,26,27,28) -152.4724 estimate D2E/DX2 ! ! D115 D(25,26,27,42) 90.1961 estimate D2E/DX2 ! ! D116 D(25,26,27,62) -36.3675 estimate D2E/DX2 ! ! D117 D(40,26,27,28) -34.7694 estimate D2E/DX2 ! ! D118 D(40,26,27,42) -152.1009 estimate D2E/DX2 ! ! D119 D(40,26,27,62) 81.3355 estimate D2E/DX2 ! ! D120 D(61,26,27,28) 82.0945 estimate D2E/DX2 ! ! D121 D(61,26,27,42) -35.237 estimate D2E/DX2 ! ! D122 D(61,26,27,62) -161.8006 estimate D2E/DX2 ! ! D123 D(25,26,40,29) 147.4046 estimate D2E/DX2 ! ! D124 D(27,26,40,29) 22.6197 estimate D2E/DX2 ! ! D125 D(61,26,40,29) -93.8149 estimate D2E/DX2 ! ! D126 D(26,27,28,29) 33.968 estimate D2E/DX2 ! ! D127 D(26,27,28,41) -80.3285 estimate D2E/DX2 ! ! D128 D(26,27,28,63) 155.089 estimate D2E/DX2 ! ! D129 D(42,27,28,29) 155.9335 estimate D2E/DX2 ! ! D130 D(42,27,28,41) 41.6371 estimate D2E/DX2 ! ! D131 D(42,27,28,63) -82.9454 estimate D2E/DX2 ! ! D132 D(62,27,28,29) -81.8217 estimate D2E/DX2 ! ! D133 D(62,27,28,41) 163.8818 estimate D2E/DX2 ! ! D134 D(62,27,28,63) 39.2994 estimate D2E/DX2 ! ! D135 D(26,27,42,70) -74.0715 estimate D2E/DX2 ! ! D136 D(28,27,42,70) 173.02 estimate D2E/DX2 ! ! D137 D(62,27,42,70) 51.5891 estimate D2E/DX2 ! ! D138 D(27,28,29,30) 96.8095 estimate D2E/DX2 ! ! D139 D(27,28,29,40) -22.0439 estimate D2E/DX2 ! ! D140 D(27,28,29,64) -142.8827 estimate D2E/DX2 ! ! D141 D(41,28,29,30) -147.2365 estimate D2E/DX2 ! ! D142 D(41,28,29,40) 93.91 estimate D2E/DX2 ! ! D143 D(41,28,29,64) -26.9287 estimate D2E/DX2 ! ! D144 D(63,28,29,30) -25.23 estimate D2E/DX2 ! ! D145 D(63,28,29,40) -144.0834 estimate D2E/DX2 ! ! D146 D(63,28,29,64) 95.0778 estimate D2E/DX2 ! ! D147 D(27,28,41,69) -34.6296 estimate D2E/DX2 ! ! D148 D(29,28,41,69) -145.7716 estimate D2E/DX2 ! ! D149 D(63,28,41,69) 91.4449 estimate D2E/DX2 ! ! D150 D(28,29,30,31) 81.0098 estimate D2E/DX2 ! ! D151 D(28,29,30,39) -101.0619 estimate D2E/DX2 ! ! D152 D(40,29,30,31) -160.9034 estimate D2E/DX2 ! ! D153 D(40,29,30,39) 17.0249 estimate D2E/DX2 ! ! D154 D(64,29,30,31) -40.9418 estimate D2E/DX2 ! ! D155 D(64,29,30,39) 136.9866 estimate D2E/DX2 ! ! D156 D(28,29,40,26) -0.3501 estimate D2E/DX2 ! ! D157 D(30,29,40,26) -122.546 estimate D2E/DX2 ! ! D158 D(64,29,40,26) 119.9169 estimate D2E/DX2 ! ! D159 D(29,30,31,32) -0.7578 estimate D2E/DX2 ! ! D160 D(29,30,31,37) 178.8352 estimate D2E/DX2 ! ! D161 D(39,30,31,32) -179.0674 estimate D2E/DX2 ! ! D162 D(39,30,31,37) 0.5256 estimate D2E/DX2 ! ! D163 D(29,30,39,38) -178.7014 estimate D2E/DX2 ! ! D164 D(29,30,39,68) 0.4753 estimate D2E/DX2 ! ! D165 D(31,30,39,38) -0.4381 estimate D2E/DX2 ! ! D166 D(31,30,39,68) 178.7386 estimate D2E/DX2 ! ! D167 D(30,31,32,33) 179.161 estimate D2E/DX2 ! ! D168 D(37,31,32,33) -0.3548 estimate D2E/DX2 ! ! D169 D(30,31,37,35) -179.5949 estimate D2E/DX2 ! ! D170 D(30,31,37,38) -0.4753 estimate D2E/DX2 ! ! D171 D(32,31,37,35) 0.0124 estimate D2E/DX2 ! ! D172 D(32,31,37,38) 179.1319 estimate D2E/DX2 ! ! D173 D(31,32,33,34) 0.2267 estimate D2E/DX2 ! ! D174 D(31,32,33,65) -179.6213 estimate D2E/DX2 ! ! D175 D(32,33,34,35) 0.2625 estimate D2E/DX2 ! ! D176 D(65,33,34,35) -179.8883 estimate D2E/DX2 ! ! D177 D(33,34,35,36) 178.2752 estimate D2E/DX2 ! ! D178 D(33,34,35,37) -0.6245 estimate D2E/DX2 ! ! D179 D(34,35,36,66) 165.1177 estimate D2E/DX2 ! ! D180 D(34,35,36,67) 16.0472 estimate D2E/DX2 ! ! D181 D(37,35,36,66) -16.0199 estimate D2E/DX2 ! ! D182 D(37,35,36,67) -165.0905 estimate D2E/DX2 ! ! D183 D(34,35,37,31) 0.4987 estimate D2E/DX2 ! ! D184 D(34,35,37,38) -178.3747 estimate D2E/DX2 ! ! D185 D(36,35,37,31) -178.3628 estimate D2E/DX2 ! ! D186 D(36,35,37,38) 2.7638 estimate D2E/DX2 ! ! D187 D(31,37,38,39) 0.2137 estimate D2E/DX2 ! ! D188 D(35,37,38,39) 179.133 estimate D2E/DX2 ! ! D189 D(37,38,39,30) 0.1409 estimate D2E/DX2 ! ! D190 D(37,38,39,68) -178.9954 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 405 maximum allowed number of steps= 420. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.103809 -.359200 -1.445655 2 8 0 2.502463 -.294798 -2.209755 3 15 0 3.853064 .618436 -2.093395 4 8 0 4.456708 .017263 -.677125 5 6 0 5.590960 -.785905 -.585834 6 6 0 5.364873 -1.883703 .444188 7 6 0 4.301487 -2.934864 .100619 8 6 0 3.055498 -2.263372 .650605 9 6 0 3.604507 -1.655675 1.935243 10 7 0 2.808857 -.449075 2.330062 11 6 0 1.681112 -.660626 3.025067 12 6 0 .878626 .378200 3.394274 13 6 0 1.243632 1.668054 3.021422 14 6 0 2.373125 1.866837 2.256218 15 6 0 2.733251 3.269486 1.838779 16 7 0 3.362270 3.401982 .671009 17 8 0 2.459882 4.178976 2.584880 18 6 0 3.138349 .769727 1.911441 19 8 0 4.909519 -1.309601 1.685638 20 8 0 1.929816 -3.025876 .858108 21 8 0 4.529286 -4.127136 .808593 22 8 0 4.753439 .211351 -3.172727 23 8 0 3.486275 2.012336 -1.790085 24 8 0 .145393 .370290 -2.515299 25 6 0 -1.219172 .069393 -2.620491 26 6 0 -2.055820 1.125506 -1.914403 27 6 0 -1.988702 1.170497 -.381762 28 6 0 -3.359440 1.753953 -.042063 29 6 0 -4.254720 1.169784 -1.135454 30 7 0 -4.976269 -.030637 -.712553 31 6 0 -6.123653 -.062026 .020006 32 7 0 -6.820899 .957928 .514752 33 6 0 -7.889430 .554911 1.157981 34 7 0 -8.320808 -.686699 1.359411 35 6 0 -7.604209 -1.687283 .865737 36 7 0 -8.012120 -2.957401 1.093166 37 6 0 -6.441943 -1.396635 .148743 38 7 0 -5.515273 -2.184497 -.501297 39 6 0 -4.679453 -1.340980 -.990526 40 8 0 -3.422226 .822683 -2.191697 41 8 0 -3.340095 3.140445 -.208039 42 8 0 -1.008279 1.993249 .145145 43 8 0 1.155839 .457318 -.198488 44 8 0 .695048 -1.778771 -1.299388 45 1 0 6.429896 -.177826 -.259740 46 1 0 5.844859 -1.219285 -1.544161 47 1 0 6.312369 -2.364889 .656780 48 1 0 4.220628 -3.115752 -.964523 49 1 0 2.850327 -1.442397 -.002018 50 1 0 3.532729 -2.333074 2.774550 51 1 0 1.459552 -1.681353 3.260041 52 1 0 -.016433 .187389 3.952832 53 1 0 .650402 2.515602 3.304679 54 1 0 3.540046 4.342120 .392027 55 1 0 3.316896 2.734704 -.093322 56 1 0 4.014093 .839860 1.305929 57 1 0 1.315336 -2.785977 .152853 58 1 0 5.204556 -4.629107 .375056 59 1 0 -1.428028 -.914090 -2.220551 60 1 0 -1.473806 .070415 -3.672559 61 1 0 -1.813786 2.105267 -2.306771 62 1 0 -1.908024 .157618 .009475 63 1 0 -3.705332 1.490202 .951028 64 1 0 -4.991302 1.896125 -1.442799 65 1 0 -8.506748 1.327430 1.580846 66 1 0 -7.609714 -3.681133 .542067 67 1 0 -8.948377 -3.080961 1.404384 68 1 0 -3.825191 -1.595146 -1.578575 69 1 0 -2.472518 3.441024 .041820 70 1 0 -.143626 1.570001 .027745 --------------------------------------------------------------------- Rotational constants (GHZ): .1235229 .0378957 .0367849 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6570.8452343561 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state of the initial guess is 1-A. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32020011 A.U. after 16 cycles Convg = .3101D-08 -V/T = 2.0015 S**2 = .0000 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -79.95370 -79.93855 -20.52075 -20.50142 -20.49889 Alpha occ. eigenvalues -- -20.47757 -20.46615 -20.46263 -20.46257 -20.45898 Alpha occ. eigenvalues -- -20.45014 -20.44369 -20.38163 -20.37663 -20.36148 Alpha occ. eigenvalues -- -20.35498 -15.62039 -15.55337 -15.52067 -15.49063 Alpha occ. eigenvalues -- -15.48963 -15.48597 -15.47873 -11.27609 -11.27524 Alpha occ. eigenvalues -- -11.26833 -11.26454 -11.25694 -11.25591 -11.24061 Alpha occ. eigenvalues -- -11.24050 -11.23863 -11.22532 -11.21817 -11.21022 Alpha occ. eigenvalues -- -11.20648 -11.20210 -11.19900 -11.19709 -11.19483 Alpha occ. eigenvalues -- -11.19451 -11.19247 -11.18638 -11.17867 -7.47606 Alpha occ. eigenvalues -- -7.46059 -5.37509 -5.37457 -5.37359 -5.35948 Alpha occ. eigenvalues -- -5.35897 -5.35800 -1.37025 -1.35046 -1.31347 Alpha occ. eigenvalues -- -1.31077 -1.30827 -1.30390 -1.29441 -1.29328 Alpha occ. eigenvalues -- -1.28618 -1.27817 -1.26388 -1.24418 -1.24268 Alpha occ. eigenvalues -- -1.18786 -1.18544 -1.15967 -1.13896 -1.12827 Alpha occ. eigenvalues -- -1.12717 -1.11971 -1.09372 -1.08107 -1.02715 Alpha occ. eigenvalues -- -.98437 -.97405 -.96598 -.95872 -.94972 Alpha occ. eigenvalues -- -.87778 -.86500 -.85049 -.82827 -.82463 Alpha occ. eigenvalues -- -.81238 -.76901 -.76501 -.74729 -.73711 Alpha occ. eigenvalues -- -.73501 -.72453 -.70660 -.70033 -.69373 Alpha occ. eigenvalues -- -.67679 -.66885 -.66113 -.65230 -.64621 Alpha occ. eigenvalues -- -.64334 -.63376 -.62767 -.62602 -.61454 Alpha occ. eigenvalues -- -.61393 -.60860 -.60178 -.58761 -.58549 Alpha occ. eigenvalues -- -.57905 -.57356 -.57220 -.56668 -.55952 Alpha occ. eigenvalues -- -.55826 -.55059 -.54900 -.54747 -.53630 Alpha occ. eigenvalues -- -.53597 -.53079 -.52279 -.51793 -.51413 Alpha occ. eigenvalues -- -.50478 -.50358 -.49791 -.49072 -.48891 Alpha occ. eigenvalues -- -.48202 -.48089 -.47856 -.47575 -.47088 Alpha occ. eigenvalues -- -.46762 -.45511 -.45376 -.44539 -.44033 Alpha occ. eigenvalues -- -.43378 -.42276 -.41678 -.40780 -.40243 Alpha occ. eigenvalues -- -.39656 -.39378 -.39043 -.38795 -.37813 Alpha occ. eigenvalues -- -.37498 -.37225 -.36676 -.36405 -.35892 Alpha occ. eigenvalues -- -.35028 -.34494 -.34345 -.34147 -.33782 Alpha occ. eigenvalues -- -.33223 -.33107 -.32544 -.32149 -.31735 Alpha occ. eigenvalues -- -.31020 -.30603 -.30096 -.29587 -.29502 Alpha occ. eigenvalues -- -.28457 -.24294 Alpha virt. eigenvalues -- .13063 .16726 .19935 .22411 .28309 Alpha virt. eigenvalues -- .28504 .29033 .29618 .29747 .32134 Alpha virt. eigenvalues -- .32407 .32977 .33916 .34380 .34749 Alpha virt. eigenvalues -- .34979 .35182 .35505 .35724 .36418 Alpha virt. eigenvalues -- .36700 .37039 .37118 .38720 .39158 Alpha virt. eigenvalues -- .39437 .40137 .40681 .40842 .41092 Alpha virt. eigenvalues -- .41452 .42778 .43050 .43563 .44380 Alpha virt. eigenvalues -- .44889 .45308 .45806 .46051 .46336 Alpha virt. eigenvalues -- .46976 .47530 .47916 .48545 .48882 Alpha virt. eigenvalues -- .49626 .49932 .50369 .50488 .51359 Alpha virt. eigenvalues -- .51581 .52031 .52770 .53343 .53605 Alpha virt. eigenvalues -- .54069 .54655 .54817 .55405 .55791 Alpha virt. eigenvalues -- .56760 .57194 .57815 .58133 .58809 Alpha virt. eigenvalues -- .59544 .59564 .59998 .61130 .61917 Alpha virt. eigenvalues -- .62345 .62986 .63863 .64386 .64681 Alpha virt. eigenvalues -- .65619 .66589 .68116 .68514 .71684 Alpha virt. eigenvalues -- .72058 .72560 .73302 .73610 .74043 Alpha virt. eigenvalues -- .75295 .76888 .78683 .79591 .79820 Alpha virt. eigenvalues -- .80176 .81017 .81586 .81800 .83063 Alpha virt. eigenvalues -- .83370 .83958 .84290 .85093 .85308 Alpha virt. eigenvalues -- .86010 .86887 .87866 .88009 .88238 Alpha virt. eigenvalues -- .88377 .88677 .88719 .89164 .89471 Alpha virt. eigenvalues -- .90855 .91059 .91415 .91716 .91801 Alpha virt. eigenvalues -- .92870 .93055 .93194 .94213 .94630 Alpha virt. eigenvalues -- .94837 .95246 .95721 .96022 .97627 Alpha virt. eigenvalues -- .98253 .99013 .99233 .99508 1.00275 Alpha virt. eigenvalues -- 1.00639 1.01182 1.01552 1.02464 1.02896 Alpha virt. eigenvalues -- 1.03613 1.04469 1.04870 1.04952 1.05306 Alpha virt. eigenvalues -- 1.05659 1.06358 1.06665 1.07206 1.07310 Alpha virt. eigenvalues -- 1.07684 1.08564 1.09054 1.09513 1.10410 Alpha virt. eigenvalues -- 1.10501 1.10764 1.11544 1.12210 1.13518 Alpha virt. eigenvalues -- 1.13972 1.14317 1.14475 1.14676 1.15124 Alpha virt. eigenvalues -- 1.15439 1.15664 1.16233 1.17400 1.17604 Alpha virt. eigenvalues -- 1.18105 1.18340 1.18821 1.19287 1.19463 Alpha virt. eigenvalues -- 1.20504 1.21014 1.22234 1.22374 1.22660 Alpha virt. eigenvalues -- 1.22768 1.23528 1.23939 1.24243 1.24633 Alpha virt. eigenvalues -- 1.24828 1.25126 1.25822 1.25997 1.26558 Alpha virt. eigenvalues -- 1.27025 1.27275 1.27884 1.28116 1.28718 Alpha virt. eigenvalues -- 1.29110 1.29870 1.29992 1.30595 1.30894 Alpha virt. eigenvalues -- 1.31085 1.32138 1.32604 1.33139 1.33852 Alpha virt. eigenvalues -- 1.34296 1.34697 1.35701 1.36421 1.36807 Alpha virt. eigenvalues -- 1.37554 1.38447 1.38869 1.39088 1.40479 Alpha virt. eigenvalues -- 1.40674 1.41127 1.41509 1.42044 1.42436 Alpha virt. eigenvalues -- 1.42852 1.43494 1.44381 1.44643 1.45178 Alpha virt. eigenvalues -- 1.45379 1.45689 1.46511 1.47141 1.47829 Alpha virt. eigenvalues -- 1.48128 1.48981 1.49960 1.50726 1.51746 Alpha virt. eigenvalues -- 1.52975 1.53545 1.53806 1.54141 1.55368 Alpha virt. eigenvalues -- 1.55810 1.56266 1.57164 1.57730 1.58002 Alpha virt. eigenvalues -- 1.58603 1.59981 1.60654 1.60968 1.62099 Alpha virt. eigenvalues -- 1.62674 1.62959 1.64351 1.64623 1.65027 Alpha virt. eigenvalues -- 1.66409 1.66833 1.67265 1.68093 1.68540 Alpha virt. eigenvalues -- 1.69122 1.69566 1.69924 1.71222 1.71638 Alpha virt. eigenvalues -- 1.72250 1.72948 1.73554 1.74536 1.75007 Alpha virt. eigenvalues -- 1.75334 1.76099 1.76373 1.77724 1.77907 Alpha virt. eigenvalues -- 1.78974 1.79290 1.80166 1.80357 1.81117 Alpha virt. eigenvalues -- 1.81286 1.81810 1.82276 1.82494 1.83379 Alpha virt. eigenvalues -- 1.83811 1.84264 1.85195 1.85509 1.86413 Alpha virt. eigenvalues -- 1.86965 1.87335 1.87803 1.89237 1.89790 Alpha virt. eigenvalues -- 1.90459 1.91443 1.91727 1.93555 1.94262 Alpha virt. eigenvalues -- 1.94661 1.95433 1.96792 1.97378 1.97471 Alpha virt. eigenvalues -- 1.98320 1.98859 1.99662 2.01251 2.02387 Alpha virt. eigenvalues -- 2.04061 2.04616 2.04903 2.05389 2.06391 Alpha virt. eigenvalues -- 2.07801 2.09048 2.09766 2.10111 2.10985 Alpha virt. eigenvalues -- 2.11182 2.11972 2.12445 2.13302 2.13665 Alpha virt. eigenvalues -- 2.14655 2.14883 2.15314 2.16117 2.16572 Alpha virt. eigenvalues -- 2.16924 2.18321 2.18725 2.19620 2.20317 Alpha virt. eigenvalues -- 2.20635 2.21412 2.21653 2.22647 2.23061 Alpha virt. eigenvalues -- 2.23991 2.24576 2.25333 2.26094 2.26645 Alpha virt. eigenvalues -- 2.26839 2.27184 2.27594 2.28199 2.28384 Alpha virt. eigenvalues -- 2.29133 2.29792 2.30675 2.31149 2.31441 Alpha virt. eigenvalues -- 2.31795 2.31943 2.32282 2.33511 2.34242 Alpha virt. eigenvalues -- 2.34560 2.34780 2.35886 2.36428 2.36860 Alpha virt. eigenvalues -- 2.37580 2.38565 2.38820 2.39752 2.40526 Alpha virt. eigenvalues -- 2.40689 2.41932 2.43274 2.43798 2.44044 Alpha virt. eigenvalues -- 2.45392 2.46194 2.46560 2.47573 2.48629 Alpha virt. eigenvalues -- 2.49300 2.49592 2.50343 2.51281 2.52157 Alpha virt. eigenvalues -- 2.52668 2.53284 2.53699 2.54076 2.55581 Alpha virt. eigenvalues -- 2.55723 2.55927 2.57067 2.57534 2.58660 Alpha virt. eigenvalues -- 2.58973 2.59323 2.59859 2.60407 2.61531 Alpha virt. eigenvalues -- 2.61895 2.62533 2.62847 2.63608 2.63990 Alpha virt. eigenvalues -- 2.64746 2.65155 2.65815 2.66249 2.67019 Alpha virt. eigenvalues -- 2.67498 2.67765 2.68621 2.68925 2.70254 Alpha virt. eigenvalues -- 2.70475 2.70927 2.71764 2.72432 2.73531 Alpha virt. eigenvalues -- 2.74085 2.76137 2.77980 2.78472 2.79029 Alpha virt. eigenvalues -- 2.79277 2.80364 2.80548 2.81598 2.83981 Alpha virt. eigenvalues -- 2.84182 2.84730 2.85444 2.85872 2.86361 Alpha virt. eigenvalues -- 2.87466 2.87984 2.89295 2.89552 2.90087 Alpha virt. eigenvalues -- 2.90220 2.92026 2.93158 2.95008 2.96699 Alpha virt. eigenvalues -- 2.96811 2.99793 3.01030 3.01168 3.01815 Alpha virt. eigenvalues -- 3.02267 3.03517 3.04026 3.05011 3.05529 Alpha virt. eigenvalues -- 3.05906 3.06182 3.08258 3.08520 3.08549 Alpha virt. eigenvalues -- 3.09001 3.10392 3.11090 3.11385 3.11918 Alpha virt. eigenvalues -- 3.12254 3.14516 3.15167 3.15983 3.17108 Alpha virt. eigenvalues -- 3.17765 3.18648 3.20111 3.20840 3.21687 Alpha virt. eigenvalues -- 3.22730 3.24161 3.24308 3.25434 3.25803 Alpha virt. eigenvalues -- 3.26619 3.28324 3.29585 3.30537 3.31266 Alpha virt. eigenvalues -- 3.32922 3.36374 3.36884 3.37918 3.38445 Alpha virt. eigenvalues -- 3.39798 3.40751 3.42893 3.43521 3.44415 Alpha virt. eigenvalues -- 3.45766 3.46400 3.47285 3.47867 3.48616 Alpha virt. eigenvalues -- 3.50907 3.52694 3.55662 3.55721 3.63197 Alpha virt. eigenvalues -- 3.70012 3.76797 3.91306 3.94926 4.03110 Alpha virt. eigenvalues -- 4.05814 4.31629 4.35130 4.35898 4.40140 Alpha virt. eigenvalues -- 4.42080 4.46015 4.50512 4.51340 4.53011 Alpha virt. eigenvalues -- 4.54554 4.55116 4.56915 4.57875 4.59146 Alpha virt. eigenvalues -- 4.61876 4.63925 4.64668 4.67346 4.70065 Alpha virt. eigenvalues -- 4.71247 4.75430 4.76034 4.77601 4.79252 Alpha virt. eigenvalues -- 4.80689 4.83942 4.84142 4.88081 4.91096 Alpha virt. eigenvalues -- 4.93789 4.96916 4.98660 5.00671 5.02360 Alpha virt. eigenvalues -- 5.03735 5.05971 5.14621 5.19863 5.22141 Alpha virt. eigenvalues -- 5.24025 5.24836 5.30089 Condensed to atoms (all electrons): Mulliken atomic charges: 1 1 P 1.725363 2 O -.837903 3 P 1.648712 4 O -.803432 5 C .024009 6 C .130048 7 C .058887 8 C .156171 9 C .407552 10 N -.667603 11 C .184616 12 C -.288205 13 C -.061219 14 C -.183057 15 C .764298 16 N -.966731 17 O -.635716 18 C .253469 19 O -.688698 20 O -.819838 21 O -.751983 22 O -.774257 23 O -.829633 24 O -.726762 25 C -.000251 26 C .156673 27 C .118890 28 C .110649 29 C .425390 30 N -.785456 31 C .678656 32 N -.622670 33 C .265936 34 N -.658864 35 C .617598 36 N -.913450 37 C .070844 38 N -.594208 39 C .313880 40 O -.699940 41 O -.780493 42 O -.855230 43 O -.923109 44 O -.854719 45 H .154468 46 H .200128 47 H .168724 48 H .215067 49 H .236436 50 H .205399 51 H .277621 52 H .239478 53 H .276912 54 H .382173 55 H .531344 56 H .349035 57 H .529459 58 H .437760 59 H .182072 60 H .174929 61 H .197056 62 H .172482 63 H .183428 64 H .225516 65 H .197472 66 H .400703 67 H .384622 68 H .253356 69 H .479797 70 H .556354 Sum of Mulliken charges= -1.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 P 1.725363 2 O -.837903 3 P 1.648712 4 O -.803432 5 C .378605 6 C .298772 7 C .273954 8 C .392607 9 C .612951 10 N -.667603 11 C .462237 12 C -.048727 13 C .215693 14 C -.183057 15 C .764298 16 N -.053214 17 O -.635716 18 C .602504 19 O -.688698 20 O -.290378 21 O -.314223 22 O -.774257 23 O -.829633 24 O -.726762 25 C .356750 26 C .353729 27 C .291372 28 C .294077 29 C .650906 30 N -.785456 31 C .678656 32 N -.622670 33 C .463407 34 N -.658864 35 C .617598 36 N -.128126 37 C .070844 38 N -.594208 39 C .567236 40 O -.699940 41 O -.300696 42 O -.298876 43 O -.923109 44 O -.854719 45 H .000000 46 H .000000 47 H .000000 48 H .000000 49 H .000000 50 H .000000 51 H .000000 52 H .000000 53 H .000000 54 H .000000 55 H .000000 56 H .000000 57 H .000000 58 H .000000 59 H .000000 60 H .000000 61 H .000000 62 H .000000 63 H .000000 64 H .000000 65 H .000000 66 H .000000 67 H .000000 68 H .000000 69 H .000000 70 H .000000 Sum of Mulliken charges= -1.00000 Entering OneElI... OneElI was handed 5499482 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = .1000D-12 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 4064891 working-precision words and 14768 shell-pairs Electronic moments (au): -344.00000000 -1.37907453 -2.57780440 3.93230653 -21634.29147444 -4488.76374618 -3653.44219026 -8.67640250 25.16802648 -1.92466612100457.61297693 -470.92687685 -1125.89661632 -6584.15445758 24221.60307979 -9182.66025031 -8151.39016243 -2913.37568243 -6018.81970417 -1761.27915801 ******************************-90016.11600349*************** 214707.07456958 -2148.07978559-14103.63355313 -3077.37532861 -7155.27839921******************************-35522.94806837 44914.87693777-24486.18225251-12567.30857675 Electronic spatial extent (au): = 29776.4974 Nuclear moments (au): 343.00000000 .00000000 .00000000 .00000000 21386.46025163 4264.42605513 3432.65738197 .00000000 -.00008110 -.00001311*************** 330.86302054 1250.77650867 6585.59999936-24579.05340781 9273.59067824 8000.37800661 2846.07534643 5901.17040994 1775.87421634 ***************147173.25418948 76828.17964910163452.91237011 *************** 2008.23308108 13476.47870706 4064.97740005 6821.81536191262846.60313650129444.21962279 30257.46682343 -44523.55317553 23617.08601409 11932.56030862 Total moments (au): -1.00000000 -1.37907453 -2.57780440 3.93230653 -247.83122281 -224.33769105 -220.78480829 -8.67640250 25.16794538 -1.92467923 339.91285047 -140.06385630 124.87989234 1.44554178 -357.45032802 90.93042793 -151.01215582 -67.30033600 -117.64929423 14.59505834 -79379.02621170-15704.91417035-13187.93635439 467.74517861 2186.41570252 -139.84670451 -627.15484607 987.60207144 -333.46303730-13649.51722505-17323.23199802 -5265.48124493 391.32376225 -869.09623842 -634.74826814 Charge= -1.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.5053 Y= -6.5521 Z= 9.9949 Tot= 12.4545 Quadrupole moment (field-independent basis, Debye-Ang): XX= -333.3415 YY= -301.7419 ZZ= -296.9631 XY= -11.6701 XZ= 33.8517 YZ= -2.5888 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -22.6593 YY= 8.9403 ZZ= 13.7190 XY= -11.6701 XZ= 33.8517 YZ= -2.5888 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 241.9369 YYY= -99.6920 ZZZ= 88.8847 XYY= 1.0289 XXY= -254.4194 XXZ= 64.7208 XZZ= -107.4846 YZZ= -47.9018 YYZ= -83.7382 XYZ= 10.3882 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX=-29897.9451 YYYY= -5915.2233 ZZZZ= -4967.2088 XXXY= 176.1752 XXXZ= 823.5089 YYYX= -52.6730 YYYZ= -236.2166 ZZZX= 371.9783 ZZZY= -125.5982 XXYY= -5141.0623 XXZZ= -6524.7593 YYZZ= -1983.2326 XXYZ= 147.3913 YYXZ= -327.3433 ZZXY= -239.0766 N-N= 6.570845234356D+03 E-N=-2.006467122928D+04 KE= 2.916807193698D+03 Entering OneElI... OneElI was handed 4460212 working-precision words. Calculate electrostatic properties NBasis = 720 MinDer = 0 MaxDer = 0 NGrid = 70 NMatD = 1 Requested accuracy = .1000D-12 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 3178625 working-precision words and 12485 shell-pairs -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -.531820 .568009 -.036189 2 Atom -1.086241 .519674 .566567 3 Atom -.264036 .378900 -.114864 4 Atom -.501065 .378810 .122255 5 Atom -.179753 -.027709 .207462 6 Atom .130418 .136359 -.266777 7 Atom .149339 -.226379 .077040 8 Atom -.116546 .069385 .047161 9 Atom -.228836 -.150965 .379800 10 Atom -.009095 -.112694 .121789 11 Atom -.074844 .349492 -.274647 12 Atom .016145 .126343 -.142488 13 Atom .047493 .276701 -.324194 14 Atom .015453 .111271 -.126724 15 Atom -.390720 .259613 .131107 16 Atom .547458 -.267765 -.279693 17 Atom -.416536 .166635 .249901 18 Atom .190951 .063034 -.253985 19 Atom -1.013984 1.176158 -.162174 20 Atom -1.233237 .773316 .459921 21 Atom .393216 -.892875 .499659 22 Atom -.125996 .362399 -.236403 23 Atom .428183 -.729260 .301076 24 Atom -1.490377 .890418 .599959 25 Atom -.368093 .164900 .203192 26 Atom -.397716 .213887 .183829 27 Atom -.087050 .023606 .063445 28 Atom .155196 -.293086 .137891 29 Atom .073982 -.055833 -.018149 30 Atom -.058537 -.337256 .395794 31 Atom -.097183 .316063 -.218880 32 Atom -.354079 .740387 -.386309 33 Atom .041515 .210409 -.251924 34 Atom .498229 -.482866 -.015363 35 Atom .108938 .147152 -.256090 36 Atom -.135340 -.492174 .627514 37 Atom -.004021 .033287 -.029266 38 Atom -.434342 .853821 -.419479 39 Atom .143881 -.038279 -.105601 40 Atom -1.545837 1.435891 .109947 41 Atom -.225362 -1.328004 1.553366 42 Atom -1.371148 .177155 1.193992 43 Atom .332328 .123254 -.455583 44 Atom .275338 -.755661 .480324 45 Atom -.125157 .007006 .118151 46 Atom .119483 .069631 -.189115 47 Atom -.195461 .062716 .132745 48 Atom .157422 .128855 -.286276 49 Atom .130024 -.114552 -.015472 50 Atom .143338 -.022021 -.121316 51 Atom .128573 -.272292 .143719 52 Atom -.176175 .135909 .040266 53 Atom .009099 -.132504 .123405 54 Atom .223965 -.369505 .145541 55 Atom .188625 -.086279 -.102346 56 Atom -.163598 .137106 .026491 57 Atom -.071937 .173280 -.101342 58 Atom -.124793 .031820 .092972 59 Atom .121536 -.215984 .094448 60 Atom .120353 .160952 -.281305 61 Atom .125297 -.218980 .093683 62 Atom .144017 -.236618 .092601 63 Atom .112516 .118005 -.230521 64 Atom -.063630 -.053439 .117069 65 Atom .000736 -.090828 .090092 66 Atom .108317 -.151216 .042899 67 Atom -.364223 .176062 .188161 68 Atom -.151327 .128223 .023104 69 Atom -.350168 .130938 .219230 70 Atom -.270459 .078560 .191900 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom .305879 .035883 .370044 2 Atom -.638002 .472369 -.014260 3 Atom -.586053 -.712698 .567418 4 Atom 1.333989 -.506052 .502329 5 Atom .233705 -.037012 .092078 6 Atom .103268 .169335 -.274080 7 Atom .048087 -.071247 .220576 8 Atom -.206812 .057234 -.108346 9 Atom .172501 .173852 -.070432 10 Atom -.035284 .178346 .036512 11 Atom -.119984 -.175607 -.027186 12 Atom -.008511 -.170366 -.036719 13 Atom -.045790 -.390810 -.055429 14 Atom .000546 -.170077 -.027085 15 Atom .048068 -.295616 .084932 16 Atom -.265822 .384659 .075673 17 Atom .596110 -.468106 -1.114652 18 Atom -.153364 -.420145 .003139 19 Atom -.319387 1.225047 -.784090 20 Atom -.993232 -.611311 .515026 21 Atom 1.409885 .703466 .553864 22 Atom .243941 .545743 -.244181 23 Atom .293562 .063712 -.327965 24 Atom -.090990 -.752848 .514130 25 Atom -.093050 -.050049 -.063475 26 Atom -.118031 -.151795 -.024984 27 Atom -.175510 -.073094 -.087259 28 Atom -.026668 -.044278 .032571 29 Atom -.159055 .315750 .037151 30 Atom -.015244 .473591 -.048976 31 Atom .012964 -.145911 .024033 32 Atom .357369 .007981 -.160249 33 Atom -.044607 -.305342 .061400 34 Atom .225380 -.497646 -.149084 35 Atom -.013186 -.366218 .061175 36 Atom -.175569 .609788 -.195685 37 Atom .065128 -.018227 -.040327 38 Atom .019030 .012685 .067856 39 Atom .056832 -.288394 -.018723 40 Atom -.118105 .827488 -.677744 41 Atom -.776038 -.612047 .145616 42 Atom -.445907 -.556490 -.821457 43 Atom .123832 -.041543 -.662868 44 Atom -.303626 -.018414 .262860 45 Atom -.190532 -.111091 -.073863 46 Atom .053531 .096127 -.166575 47 Atom .182527 -.074337 .034076 48 Atom -.001563 -.029616 -.074599 49 Atom .070638 -.063855 .221733 50 Atom -.009433 .035183 .220167 51 Atom -.089131 .035937 .108387 52 Atom -.070241 .223850 .047459 53 Atom .212538 .077718 -.099231 54 Atom -.114359 .051036 .165558 55 Atom -.033587 -.004587 -.230326 56 Atom -.030644 .216033 .024843 57 Atom .063572 -.280206 .114126 58 Atom .309973 .273583 -.169483 59 Atom -.091343 .036328 .151994 60 Atom .000315 -.107438 -.000580 61 Atom -.090330 .034977 .151171 62 Atom .023024 -.015144 .145976 63 Atom -.039621 .132851 .102925 64 Atom .205613 -.085590 .092906 65 Atom .195976 .113199 -.134879 66 Atom .168991 .170266 -.267654 67 Atom -.085646 .209778 .014594 68 Atom .092625 .221554 -.068539 69 Atom -.217677 -.185079 -.055934 70 Atom .197952 .047125 -.054119 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -.6183 -133.663 -47.694 -44.585 .9514 -.2832 .1214 1 P(31) Bbb -.1893 -40.928 -14.604 -13.652 -.2214 -.3545 .9085 Bcc .8076 174.591 62.298 58.237 .2142 .8912 .3999 Baa -1.4081 101.892 36.358 33.988 .9267 .3051 -.2195 2 O(17) Bbb .5346 -38.681 -13.803 -12.903 -.0321 .6462 .7625 Bcc .8736 -63.211 -22.555 -21.085 -.3744 .6996 -.6086 Baa -.9098 -196.680 -70.180 -65.606 .7662 .0670 .6391 3 P(31) Bbb -.3611 -78.061 -27.854 -26.038 .3951 .7352 -.5508 Bcc 1.2709 274.741 98.034 91.644 -.5068 .6745 .5368 Baa -1.7337 125.451 44.764 41.846 .7498 -.5580 .3555 4 O(17) Bbb .3786 -27.398 -9.776 -9.139 -.3498 .1217 .9289 Bcc 1.3551 -98.053 -34.988 -32.707 .5616 .8209 .1039 Baa -.3620 -48.579 -17.334 -16.204 .7911 -.5936 .1474 5 C(13) Bbb .1159 15.559 5.552 5.190 .5897 .6761 -.4418 Bcc .2461 33.020 11.783 11.014 .1626 .4364 .8849 Baa -.4705 -63.139 -22.529 -21.061 -.3127 .4346 .8446 6 C(13) Bbb .1928 25.868 9.230 8.628 .9342 -.0198 .3561 Bcc .2777 37.271 13.299 12.432 .1715 .9004 -.3999 Baa -.3538 -47.483 -16.943 -15.839 -.1497 .8699 -.4700 7 C(13) Bbb .1336 17.924 6.396 5.979 .8184 .3758 .4348 Bcc .2203 29.559 10.547 9.860 -.5548 .3196 .7681 Baa -.2508 -33.650 -12.007 -11.225 .8330 .5518 .0407 8 C(13) Bbb -.0193 -2.590 -.924 -.864 -.2954 .3813 .8760 Bcc .2701 36.241 12.932 12.089 -.4679 .7417 -.4806 Baa -.4081 -54.768 -19.543 -18.269 .7798 -.5845 -.2243 9 C(13) Bbb -.0189 -2.535 -.905 -.846 .5761 .8102 -.1081 Bcc .4270 57.303 20.447 19.114 .2449 -.0449 .9685 Baa -.1742 -6.717 -2.397 -2.241 .6276 .6310 -.4560 10 N(14) Bbb -.0724 -2.793 -.997 -.932 -.5311 .7753 .3419 Bcc .2466 9.510 3.394 3.172 .5693 .0276 .8217 Baa -.3866 -51.876 -18.511 -17.304 .5210 .1162 .8456 11 C(13) Bbb .0049 .664 .237 .221 .8113 .2405 -.5329 Bcc .3816 51.212 18.274 17.083 -.2652 .9637 .0311 Baa -.2544 -34.140 -12.182 -11.388 .5326 .0930 .8412 12 C(13) Bbb .1145 15.360 5.481 5.123 .6841 -.6325 -.3632 Bcc .1400 18.780 6.701 6.264 .4983 .7690 -.4005 Baa -.5771 -77.435 -27.631 -25.830 .5330 .0833 .8420 13 C(13) Bbb .2777 37.267 13.298 12.431 .3648 .8753 -.3175 Bcc .2993 40.168 14.333 13.399 .7634 -.4764 -.4362 Baa -.2414 -32.390 -11.558 -10.804 .5509 .0631 .8322 14 C(13) Bbb .1033 13.861 4.946 4.624 -.4628 .8529 .2418 Bcc .1381 18.529 6.612 6.181 .6945 .5183 -.4991 Baa -.5320 -71.385 -25.472 -23.812 .9040 -.0995 .4158 15 C(13) Bbb .2086 27.993 9.988 9.337 .3625 .6941 -.6220 Bcc .3234 43.393 15.484 14.474 -.2267 .7130 .6635 Baa -.5476 -21.118 -7.536 -7.044 -.3921 -.5682 .7235 16 N(14) Bbb -.1998 -7.706 -2.750 -2.571 -.0301 .7940 .6072 Bcc .7474 28.825 10.285 9.615 .9194 -.2163 .3284 Baa -.9460 68.454 24.426 22.834 -.3462 .7500 .5636 17 O(17) Bbb -.6573 47.560 16.971 15.864 .8708 .0334 .4904 Bcc 1.6033 -116.014 -41.397 -38.698 -.3490 -.6605 .6647 Baa -.5173 -69.419 -24.770 -23.156 .5270 .1347 .8391 18 C(13) Bbb .0310 4.165 1.486 1.389 .1912 .9432 -.2715 Bcc .4863 65.254 23.284 21.766 .8281 -.3036 -.4713 Baa -1.8984 137.369 49.017 45.822 .8003 -.0688 -.5957 19 O(17) Bbb .0928 -6.717 -2.397 -2.240 .5111 .5977 .6176 Bcc 1.8056 -130.653 -46.620 -43.581 -.3136 .7987 -.5135 Baa -1.7101 123.742 44.154 41.276 .9254 .3324 .1818 20 O(17) Bbb .0822 -5.947 -2.122 -1.984 .0389 -.5606 .8272 Bcc 1.6279 -117.795 -42.032 -39.292 -.3769 .7585 .5317 Baa -1.8030 130.464 46.553 43.518 -.5303 .8468 -.0417 21 O(17) Bbb -.0742 5.371 1.917 1.792 -.4798 -.2592 .8382 Bcc 1.8772 -135.835 -48.469 -45.310 .6990 .4645 .5437 Baa -.8295 60.019 21.416 20.020 -.6471 .2779 .7099 22 O(17) Bbb .3645 -26.378 -9.412 -8.799 .6977 -.1595 .6984 Bcc .4649 -33.641 -12.004 -11.221 .3073 .9473 -.0907 Baa -.8928 64.602 23.052 21.549 -.2213 .9373 .2693 23 O(17) Bbb .3926 -28.409 -10.137 -9.476 .1878 -.2300 .9549 Bcc .5002 -36.193 -12.915 -12.073 .9570 .2619 -.1251 Baa -1.7353 125.566 44.805 41.884 .9496 -.0283 .3123 24 O(17) Bbb .3500 -25.328 -9.038 -8.448 .2447 .6896 -.6816 Bcc 1.3853 -100.238 -35.767 -33.436 -.1961 .7236 .6618 Baa -.3900 -52.332 -18.673 -17.456 .9792 .1758 .1014 25 C(13) Bbb .1392 18.679 6.665 6.231 -.2010 .7695 .6062 Bcc .2508 33.653 12.008 11.225 .0285 -.6139 .7889 Baa -.4566 -61.277 -21.865 -20.440 .9561 .1770 .2335 26 C(13) Bbb .2201 29.540 10.541 9.853 -.1894 -.2348 .9534 Bcc .2365 31.737 11.324 10.586 -.2236 .9558 .1910 Baa -.2544 -34.140 -12.182 -11.388 .7480 .5758 .3301 27 C(13) Bbb .0912 12.238 4.367 4.082 -.4802 .1261 .8681 Bcc .1632 21.902 7.815 7.306 -.4582 .8078 -.3708 Baa -.2967 -39.820 -14.209 -13.283 .0520 .9962 -.0694 28 C(13) Bbb .1016 13.632 4.864 4.547 .6425 .0198 .7660 Bcc .1952 26.188 9.345 8.735 .7645 -.0844 -.6391 Baa -.3527 -47.331 -16.889 -15.788 -.6357 -.4215 .6467 29 C(13) Bbb -.0174 -2.330 -.832 -.777 -.1019 .8763 .4709 Bcc .3701 49.662 17.721 16.565 .7652 -.2334 .6000 Baa -.3638 -14.031 -5.007 -4.680 .7312 -.4780 -.4867 30 N(14) Bbb -.3325 -12.822 -4.575 -4.277 .4275 .8771 -.2191 Bcc .6963 26.853 9.582 8.957 .5316 -.0479 .8457 Baa -.3173 -42.577 -15.193 -14.202 .5538 -.0429 .8316 31 C(13) Bbb .0000 .005 .002 .002 .8325 .0080 -.5540 Bcc .3173 42.572 15.191 14.200 .0171 .9990 .0401 Baa -.4924 -18.992 -6.777 -6.335 .8041 -.2998 -.5133 32 N(14) Bbb -.3727 -14.372 -5.128 -4.794 .5251 -.0463 .8498 Bcc .8651 33.364 11.905 11.129 .2785 .9529 -.1202 Baa -.4452 -59.741 -21.317 -19.927 .5281 -.0435 .8481 33 C(13) Bbb .1514 20.312 7.248 6.775 .5697 .7588 -.3158 Bcc .2938 39.429 14.069 13.152 -.6298 .6499 .4255 Baa -.5378 -20.741 -7.401 -6.918 -.1453 .9793 .1411 34 N(14) Bbb -.3181 -12.269 -4.378 -4.093 .5288 -.0437 .8476 Bcc .8559 33.010 11.779 11.011 .8362 .1977 -.5115 Baa -.4860 -65.213 -23.270 -21.753 .5217 -.0713 .8501 35 C(13) Bbb .1407 18.886 6.739 6.300 .2215 .9737 -.0543 Bcc .3452 46.327 16.531 15.453 .8239 -.2166 -.5238 Baa -.5704 -22.000 -7.850 -7.338 .5163 .8474 -.1244 36 N(14) Bbb -.4387 -16.921 -6.038 -5.644 .7069 -.5036 -.4967 Bcc 1.0091 38.921 13.888 12.983 .4835 -.1685 .8590 Baa -.0589 -7.900 -2.819 -2.635 -.5862 .6346 .5036 37 C(13) Bbb -.0383 -5.143 -1.835 -1.715 .5925 -.0880 .8007 Bcc .0972 13.043 4.654 4.351 .5525 .7678 -.3245 Baa -.4419 -17.042 -6.081 -5.685 .8497 .0151 -.5271 38 N(14) Bbb -.4159 -16.039 -5.723 -5.350 .5271 -.0532 .8481 Bcc .8577 33.081 11.804 11.035 .0152 .9985 .0532 Baa -.2960 -39.725 -14.175 -13.251 .5528 -.0615 .8311 39 C(13) Bbb -.0461 -6.187 -2.208 -2.064 -.0917 .9867 .1340 Bcc .3421 45.912 16.382 15.315 .8283 .1503 -.5398 Baa -1.8957 137.168 48.945 45.754 .9176 -.0478 -.3947 40 O(17) Bbb .1144 -8.277 -2.953 -2.761 .3726 .4496 .8118 Bcc 1.7813 -128.891 -45.992 -42.994 -.1387 .8919 -.4304 Baa -1.7360 125.618 44.824 41.902 .4720 .8803 .0489 41 O(17) Bbb -.0547 3.957 1.412 1.320 .8166 -.4574 .3522 Bcc 1.7907 -129.574 -46.235 -43.221 -.3324 .1263 .9346 Baa -1.7000 123.009 43.893 41.031 .9043 .3322 .2682 42 O(17) Bbb .0227 -1.643 -.586 -.548 -.4163 .8255 .3812 Bcc 1.6773 -121.366 -43.306 -40.483 -.0948 -.4563 .8848 Baa -.8904 64.426 22.989 21.490 -.0273 .5494 .8351 43 O(17) Bbb .2764 -19.999 -7.136 -6.671 .9116 -.3291 .2463 Bcc .6140 -44.427 -15.853 -14.819 .4102 .7680 -.4919 Baa -.8840 63.965 22.824 21.336 .2465 .9522 -.1801 44 O(17) Bbb .3224 -23.326 -8.323 -7.781 .9107 -.1640 .3791 Bcc .5616 -40.639 -14.501 -13.556 -.3315 .2575 .9076 Baa -.3030 -161.648 -57.680 -53.920 .7784 .5504 .3019 45 H(1) Bbb .1417 75.617 26.982 25.223 -.5125 .8349 -.2006 Bcc .1612 86.031 30.698 28.697 -.3625 .0014 .9320 Baa -.2995 -159.786 -57.016 -53.299 -.2537 .4282 .8673 46 H(1) Bbb .1439 76.795 27.402 25.616 .7635 -.4618 .4514 Bcc .1555 82.991 29.613 27.683 .5938 .7768 -.2098 Baa -.3052 -162.825 -58.100 -54.313 .8737 -.4505 .1834 47 H(1) Bbb .1466 78.213 27.908 26.089 .0030 .3820 .9241 Bcc .1586 84.612 30.192 28.224 .4864 .8069 -.3351 Baa -.3012 -160.688 -57.337 -53.600 .0641 .1708 .9832 48 H(1) Bbb .1412 75.318 26.875 25.124 -.1909 .9692 -.1559 Bcc .1600 85.369 30.462 28.476 .9795 .1777 -.0947 Baa -.3126 -166.803 -59.519 -55.639 -.2100 .7614 -.6133 49 H(1) Bbb .1482 79.093 28.222 26.382 .9085 .3837 .1653 Bcc .1644 87.710 31.297 29.257 -.3612 .5225 .7724 Baa -.2999 -160.001 -57.092 -53.371 -.0752 -.6209 .7803 50 H(1) Bbb .1348 71.930 25.666 23.993 .7946 -.5101 -.3293 Bcc .1651 88.071 31.426 29.377 .6024 .5953 .5317 Baa -.3191 -170.239 -60.745 -56.786 .2080 .9486 -.2383 51 H(1) Bbb .1424 75.953 27.102 25.335 .8813 -.2875 -.3750 Bcc .1767 94.286 33.644 31.450 .4243 .1320 .8958 Baa -.3319 -177.105 -63.195 -59.076 .8330 .1782 -.5237 52 H(1) Bbb .1510 80.557 28.745 26.871 -.2008 .9795 .0139 Bcc .1810 96.548 34.451 32.205 .5155 .0936 .8518 Baa -.3214 -171.478 -61.187 -57.199 -.5650 .7788 .2725 53 H(1) Bbb .1556 83.022 29.624 27.693 -.3427 -.5219 .7811 Bcc .1658 88.456 31.563 29.506 .7506 .3479 .5618 Baa -.4413 -235.457 -84.017 -78.540 .1835 .9418 -.2817 54 H(1) Bbb .1895 101.099 36.075 33.723 -.2690 .3237 .9071 Bcc .2518 134.357 47.942 44.817 .9455 -.0907 .3128 Baa -.3262 -174.023 -62.096 -58.048 .0518 .6954 .7167 55 H(1) Bbb .1290 68.811 24.554 22.953 -.3240 -.6672 .6707 Bcc .1972 105.212 37.542 35.095 .9446 -.2670 .1908 Baa -.3080 -164.350 -58.644 -54.821 .8338 .0878 -.5450 56 H(1) Bbb .1400 74.682 26.648 24.911 -.1524 .9855 -.0743 Bcc .1681 89.668 31.996 29.910 .5306 .1450 .8351 Baa -.3955 -211.007 -75.293 -70.384 .6631 -.2178 .7162 57 H(1) Bbb .1659 88.494 31.577 29.518 .6475 .6469 -.4028 Bcc .2296 122.513 43.716 40.866 -.3755 .7308 .5700 Baa -.5307 -283.181 -101.046 -94.459 .7135 -.5309 -.4572 58 H(1) Bbb .2337 124.702 44.497 41.596 .0798 .7099 -.6998 Bcc .2970 158.479 56.549 52.863 .6961 .4628 .5488 Baa -.3009 -160.538 -57.284 -53.550 .2266 .9019 -.3676 59 H(1) Bbb .1443 77.018 27.482 25.691 .9716 -.1828 .1505 Bcc .1565 83.519 29.802 27.859 -.0686 .3913 .9177 Baa -.3082 -164.461 -58.684 -54.858 .2432 .0010 .9700 60 H(1) Bbb .1473 78.577 28.038 26.210 .9695 -.0326 -.2430 Bcc .1610 85.884 30.646 28.648 .0314 .9995 -.0089 Baa -.3021 -161.168 -57.509 -53.760 .2210 .9044 -.3650 61 H(1) Bbb .1470 78.429 27.986 26.161 .9599 -.1355 .2455 Bcc .1551 82.739 29.523 27.599 -.1725 .4046 .8981 Baa -.2937 -156.690 -55.911 -52.266 -.0614 .9329 -.3549 62 H(1) Bbb .1407 75.096 26.796 25.049 .7704 .2704 .5774 Bcc .1529 81.595 29.115 27.217 -.6346 .2380 .7353 Baa -.3047 -162.569 -58.009 -54.227 -.3153 -.2523 .9148 63 H(1) Bbb .1454 77.595 27.688 25.883 .2132 .9205 .3274 Bcc .1593 84.974 30.321 28.344 .9247 -.2983 .2364 Baa -.3022 -161.225 -57.529 -53.779 .6824 -.6718 .2882 64 H(1) Bbb .1435 76.581 27.326 25.545 .7125 .5232 -.4676 Bcc .1586 84.645 30.203 28.234 .1633 .5244 .8357 Baa -.3216 -171.575 -61.222 -57.231 -.5746 .7178 .3932 65 H(1) Bbb .1544 82.378 29.395 27.478 .6312 .6944 -.3454 Bcc .1672 89.197 31.828 29.753 .5210 -.0497 .8521 Baa -.4409 -235.231 -83.936 -78.465 -.3965 .7370 .5473 66 H(1) Bbb .1801 96.093 34.288 32.053 .7229 .6181 -.3087 Bcc .2608 139.138 49.648 46.411 .5659 -.2733 .7779 Baa -.4467 -238.333 -85.043 -79.499 .9397 .1366 -.3136 67 H(1) Bbb .1855 98.949 35.307 33.006 -.0705 .9745 .2130 Bcc .2612 139.384 49.736 46.494 .3347 -.1780 .9253 Baa -.3311 -176.648 -63.032 -58.923 .8005 -.2432 -.5478 68 H(1) Bbb .1560 83.245 29.704 27.768 .3288 .9423 .0622 Bcc .1751 93.403 33.328 31.156 .5011 -.2299 .8343 Baa -.4867 -259.691 -92.664 -86.624 .9021 .3418 .2636 69 H(1) Bbb .2116 112.925 40.294 37.668 -.2906 .9325 -.2146 Bcc .2751 146.766 52.370 48.956 -.3191 .1170 .9405 Baa -.3675 -196.064 -69.960 -65.400 .9025 -.4146 -.1162 70 H(1) Bbb .1501 80.076 28.573 26.711 .4122 .7541 .5113 Bcc .2174 115.987 41.387 38.689 -.1244 -.5094 .8515 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Wed Jul 13 08:23:41 2005, MaxMem= 6291456 cpu: 5.6 Merz-Kollman atomic radii used. Atom Element Radius 1 15 1.80 2 8 1.40 3 15 1.80 4 8 1.40 5 6 1.50 6 6 1.50 7 6 1.50 8 6 1.50 9 6 1.50 10 7 1.50 11 6 1.50 12 6 1.50 13 6 1.50 14 6 1.50 15 6 1.50 16 7 1.50 17 8 1.40 18 6 1.50 19 8 1.40 20 8 1.40 21 8 1.40 22 8 1.40 23 8 1.40 24 8 1.40 25 6 1.50 26 6 1.50 27 6 1.50 28 6 1.50 29 6 1.50 30 7 1.50 31 6 1.50 32 7 1.50 33 6 1.50 34 7 1.50 35 6 1.50 36 7 1.50 37 6 1.50 38 7 1.50 39 6 1.50 40 8 1.40 41 8 1.40 42 8 1.40 43 8 1.40 44 8 1.40 45 1 1.20 46 1 1.20 47 1 1.20 48 1 1.20 49 1 1.20 50 1 1.20 51 1 1.20 52 1 1.20 53 1 1.20 54 1 1.20 55 1 1.20 56 1 1.20 57 1 1.20 58 1 1.20 59 1 1.20 60 1 1.20 61 1 1.20 62 1 1.20 63 1 1.20 64 1 1.20 65 1 1.20 66 1 1.20 67 1 1.20 68 1 1.20 69 1 1.20 70 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= .200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at 1.103809 -.359200 -1.445655 Atomic Center 2 is at 2.502463 -.294798 -2.209755 Atomic Center 3 is at 3.853064 .618436 -2.093395 Atomic Center 4 is at 4.456708 .017263 -.677125 Atomic Center 5 is at 5.590960 -.785905 -.585834 Atomic Center 6 is at 5.364873 -1.883703 .444188 Atomic Center 7 is at 4.301487 -2.934864 .100619 Atomic Center 8 is at 3.055498 -2.263372 .650605 Atomic Center 9 is at 3.604507 -1.655675 1.935243 Atomic Center 10 is at 2.808857 -.449075 2.330062 Atomic Center 11 is at 1.681112 -.660626 3.025067 Atomic Center 12 is at .878626 .378200 3.394274 Atomic Center 13 is at 1.243632 1.668054 3.021422 Atomic Center 14 is at 2.373125 1.866837 2.256218 Atomic Center 15 is at 2.733251 3.269486 1.838779 Atomic Center 16 is at 3.362270 3.401982 .671009 Atomic Center 17 is at 2.459882 4.178976 2.584880 Atomic Center 18 is at 3.138349 .769727 1.911441 Atomic Center 19 is at 4.909519 -1.309601 1.685638 Atomic Center 20 is at 1.929816 -3.025876 .858108 Atomic Center 21 is at 4.529286 -4.127136 .808593 Atomic Center 22 is at 4.753439 .211351 -3.172727 Atomic Center 23 is at 3.486275 2.012336 -1.790085 Atomic Center 24 is at .145393 .370290 -2.515299 Atomic Center 25 is at -1.219172 .069393 -2.620491 Atomic Center 26 is at -2.055820 1.125506 -1.914403 Atomic Center 27 is at -1.988702 1.170497 -.381762 Atomic Center 28 is at -3.359440 1.753953 -.042063 Atomic Center 29 is at -4.254720 1.169784 -1.135454 Atomic Center 30 is at -4.976269 -.030637 -.712553 Atomic Center 31 is at -6.123653 -.062026 .020006 Atomic Center 32 is at -6.820899 .957928 .514752 Atomic Center 33 is at -7.889430 .554911 1.157981 Atomic Center 34 is at -8.320808 -.686699 1.359411 Atomic Center 35 is at -7.604209 -1.687283 .865737 Atomic Center 36 is at -8.012120 -2.957401 1.093166 Atomic Center 37 is at -6.441943 -1.396635 .148743 Atomic Center 38 is at -5.515273 -2.184497 -.501297 Atomic Center 39 is at -4.679453 -1.340980 -.990526 Atomic Center 40 is at -3.422226 .822683 -2.191697 Atomic Center 41 is at -3.340095 3.140445 -.208039 Atomic Center 42 is at -1.008279 1.993249 .145145 Atomic Center 43 is at 1.155839 .457318 -.198488 Atomic Center 44 is at .695048 -1.778771 -1.299388 Atomic Center 45 is at 6.429896 -.177826 -.259740 Atomic Center 46 is at 5.844859 -1.219285 -1.544161 Atomic Center 47 is at 6.312369 -2.364889 .656780 Atomic Center 48 is at 4.220628 -3.115752 -.964523 Atomic Center 49 is at 2.850327 -1.442397 -.002018 Atomic Center 50 is at 3.532729 -2.333074 2.774550 Atomic Center 51 is at 1.459552 -1.681353 3.260041 Atomic Center 52 is at -.016433 .187389 3.952832 Atomic Center 53 is at .650402 2.515602 3.304679 Atomic Center 54 is at 3.540046 4.342120 .392027 Atomic Center 55 is at 3.316896 2.734704 -.093322 Atomic Center 56 is at 4.014093 .839860 1.305929 Atomic Center 57 is at 1.315336 -2.785977 .152853 Atomic Center 58 is at 5.204556 -4.629107 .375056 Atomic Center 59 is at -1.428028 -.914090 -2.220551 Atomic Center 60 is at -1.473806 .070415 -3.672559 Atomic Center 61 is at -1.813786 2.105267 -2.306771 Atomic Center 62 is at -1.908024 .157618 .009475 Atomic Center 63 is at -3.705332 1.490202 .951028 Atomic Center 64 is at -4.991302 1.896125 -1.442799 Atomic Center 65 is at -8.506748 1.327430 1.580846 Atomic Center 66 is at -7.609714 -3.681133 .542067 Atomic Center 67 is at -8.948377 -3.080961 1.404384 Atomic Center 68 is at -3.825191 -1.595146 -1.578575 Atomic Center 69 is at -2.472518 3.441024 .041820 Atomic Center 70 is at -.143626 1.570001 .027745 ESP Fit Center 71 is at 1.103809 -1.177443 .937804 ESP Fit Center 72 is at .185025 -1.130151 .770619 ESP Fit Center 73 is at .504115 -1.397900 .770619 ESP Fit Center 74 is at -.429591 -.569961 .542979 ESP Fit Center 75 is at -.315865 -.975852 .542979 ESP Fit Center 76 is at -.096849 -1.336008 .542979 ESP Fit Center 77 is at -.638404 -.993314 .261094 ESP Fit Center 78 is at -.445206 -1.378003 .261094 ESP Fit Center 79 is at 1.210395 2.149930 -1.237555 ESP Fit Center 80 is at 1.210395 2.149930 -1.653755 ESP Fit Center 81 is at .784817 2.131852 -1.653755 ESP Fit Center 82 is at 2.763023 -2.244433 -1.653755 ESP Fit Center 83 is at 1.528012 2.046576 -2.064278 ESP Fit Center 84 is at 1.103809 2.083689 -2.064278 ESP Fit Center 85 is at 1.836505 -2.337538 -2.823964 ESP Fit Center 86 is at 2.219743 -2.149551 -2.823964 ESP Fit Center 87 is at -.168500 -1.707768 -3.152405 ESP Fit Center 88 is at 1.425757 -2.185058 -3.152405 ESP Fit Center 89 is at 1.838150 -2.061595 -3.152405 ESP Fit Center 90 is at .211214 -1.623719 -3.434289 ESP Fit Center 91 is at .585477 -1.817647 -3.434289 ESP Fit Center 92 is at .998182 -1.903408 -3.434289 ESP Fit Center 93 is at 1.418721 -1.874642 -3.434289 ESP Fit Center 94 is at 1.815905 -1.733483 -3.434289 ESP Fit Center 95 is at .504115 -1.397900 -3.661929 ESP Fit Center 96 is at .895538 -1.540366 -3.661929 ESP Fit Center 97 is at 1.312080 -1.540366 -3.661929 ESP Fit Center 98 is at 1.703503 -1.397900 -3.661929 ESP Fit Center 99 is at .694688 -1.067819 -3.829115 ESP Fit Center 100 is at 1.103809 -1.177443 -3.829115 ESP Fit Center 101 is at 1.512930 -1.067819 -3.829115 ESP Fit Center 102 is at 1.518587 -.359200 -3.931286 ESP Fit Center 103 is at 1.311198 -.718409 -3.931286 ESP Fit Center 104 is at 2.917258 -2.112133 -1.604082 ESP Fit Center 105 is at 3.023946 -2.173010 -2.004879 ESP Fit Center 106 is at 3.415514 -2.016995 -2.004879 ESP Fit Center 107 is at 2.607994 -2.241202 -2.414631 ESP Fit Center 108 is at 3.023946 -2.173010 -2.414631 ESP Fit Center 109 is at 3.415514 -2.016995 -2.414631 ESP Fit Center 110 is at 2.502463 -2.158869 -2.815428 ESP Fit Center 111 is at 2.917258 -2.112133 -2.815428 ESP Fit Center 112 is at 3.311253 -1.974268 -2.815428 ESP Fit Center 113 is at 2.184400 -1.962142 -3.189755 ESP Fit Center 114 is at 2.609044 -1.988858 -3.189755 ESP Fit Center 115 is at 3.026991 -1.909131 -3.189755 ESP Fit Center 116 is at 3.411981 -1.727969 -3.189755 ESP Fit Center 117 is at 1.897384 -1.619735 -3.521251 ESP Fit Center 118 is at 2.295172 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ESP Fit Center 270 is at 2.377080 -1.062444 4.965214 ESP Fit Center 271 is at 2.847809 -.660626 4.771153 ESP Fit Center 272 is at 2.769025 -.239166 4.771153 ESP Fit Center 273 is at 2.543312 .125373 4.771153 ESP Fit Center 274 is at .689166 -1.274813 4.771153 ESP Fit Center 275 is at 2.201154 -1.705011 4.771153 ESP Fit Center 276 is at 2.543312 -1.446625 4.771153 ESP Fit Center 277 is at 2.769025 -1.082086 4.771153 ESP Fit Center 278 is at 3.166036 -.660626 4.509991 ESP Fit Center 279 is at 3.105886 -.242275 4.509991 ESP Fit Center 280 is at 2.930310 .142185 4.509991 ESP Fit Center 281 is at 2.653531 -1.782857 4.509991 ESP Fit Center 282 is at 2.930310 -1.463437 4.509991 ESP Fit Center 283 is at 3.105886 -1.078978 4.509991 ESP Fit Center 284 is at 3.227194 -1.472073 4.191764 ESP Fit Center 285 is at -.259035 -1.464261 3.025067 ESP Fit Center 286 is at -.284080 -1.277209 2.615377 ESP Fit Center 287 is at -.119735 -1.660178 2.615377 ESP Fit Center 288 is at -.157475 -1.280118 2.221432 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1.837706 ESP Fit Center 444 is at 4.908353 4.213429 1.837706 ESP Fit Center 445 is at 4.669234 4.559851 1.837706 ESP Fit Center 446 is at 4.354160 4.838983 1.837706 ESP Fit Center 447 is at 4.908353 2.590535 1.837706 ESP Fit Center 448 is at 5.057618 2.984116 1.837706 ESP Fit Center 449 is at 5.302417 3.401982 1.474644 ESP Fit Center 450 is at 5.257057 3.819056 1.474644 ESP Fit Center 451 is at 5.123100 4.216628 1.474644 ESP Fit Center 452 is at 4.906808 4.576109 1.474644 ESP Fit Center 453 is at 5.123100 2.587335 1.474644 ESP Fit Center 454 is at 5.257057 2.984908 1.474644 ESP Fit Center 455 is at 5.421919 3.401982 1.080699 ESP Fit Center 456 is at 5.379758 3.816586 1.080699 ESP Fit Center 457 is at 5.255001 4.214217 1.080699 ESP Fit Center 458 is at 5.052755 2.225370 1.080699 ESP Fit Center 459 is at 5.255001 2.589747 1.080699 ESP Fit Center 460 is at 5.379758 2.987378 1.080699 ESP Fit Center 461 is at 5.462270 3.401982 .671009 ESP Fit Center 462 is at 5.421919 3.811672 .671009 ESP Fit Center 463 is at 5.302417 4.205617 .671009 ESP Fit Center 464 is at 1.877346 4.886906 .671009 ESP Fit Center 465 is at 5.108356 2.235284 .671009 ESP Fit Center 466 is at 5.302417 2.598347 .671009 ESP Fit Center 467 is at 5.421919 2.992292 .671009 ESP Fit Center 468 is at 5.421919 3.401982 .261319 ESP Fit Center 469 is at 5.379758 3.816586 .261319 ESP Fit Center 470 is at 5.255001 4.214217 .261319 ESP Fit Center 471 is at 1.799495 4.743581 .261319 ESP Fit Center 472 is at 1.561423 4.401534 .261319 ESP Fit Center 473 is at 1.397078 4.018565 .261319 ESP Fit Center 474 is at 1.313188 3.610353 .261319 ESP Fit Center 475 is at 1.313188 3.193611 .261319 ESP Fit Center 476 is at 1.397078 2.785399 .261319 ESP Fit Center 477 is at 1.561423 2.402430 .261319 ESP Fit Center 478 is at 4.781300 1.909163 .261319 ESP Fit Center 479 is at 5.052755 2.225370 .261319 ESP Fit Center 480 is at 5.255001 2.589747 .261319 ESP Fit Center 481 is at 5.379758 2.987378 .261319 ESP Fit Center 482 is at 5.302417 3.401982 -.132626 ESP Fit Center 483 is at 5.257057 3.819056 -.132626 ESP Fit Center 484 is at 1.953732 4.736220 -.132626 ESP Fit Center 485 is at 1.699841 4.402232 -.132626 ESP Fit Center 486 is at 1.523684 4.021474 -.132626 ESP Fit Center 487 is at 1.433496 3.611749 -.132626 ESP Fit Center 488 is at 1.433496 3.192215 -.132626 ESP Fit Center 489 is at 1.523684 2.782490 -.132626 ESP Fit Center 490 is at 5.123100 2.587335 -.132626 ESP Fit Center 491 is at 5.257057 2.984908 -.132626 ESP Fit Center 492 is at 5.108356 3.401982 -.495689 ESP Fit Center 493 is at 5.057618 3.819848 -.495689 ESP Fit Center 494 is at 2.055306 4.559851 -.495689 ESP Fit Center 495 is at 1.816187 4.213429 -.495689 ESP Fit Center 496 is at 1.666922 3.819848 -.495689 ESP Fit Center 497 is at 1.616184 3.401982 -.495689 ESP Fit Center 498 is at 1.666922 2.984116 -.495689 ESP Fit Center 499 is at 5.057618 2.984116 -.495689 ESP Fit Center 500 is at 4.847194 3.401982 -.813915 ESP Fit Center 501 is at 4.787044 3.820333 -.813915 ESP Fit Center 502 is at 2.113072 4.204793 -.813915 ESP Fit Center 503 is at 1.937496 3.820333 -.813915 ESP Fit Center 504 is at 1.877346 3.401982 -.813915 ESP Fit Center 505 is at 4.450183 3.823442 -1.075077 ESP Fit Center 506 is at 2.659178 4.333027 -1.075077 ESP Fit Center 507 is at 2.370324 4.016169 -1.075077 ESP Fit Center 508 is at 2.215438 3.616362 -1.075077 ESP Fit Center 509 is at 3.764088 4.097950 -1.269138 ESP Fit Center 510 is at 2.960452 4.097950 -1.269138 ESP Fit Center 511 is at 2.666302 3.803799 -1.269138 ESP Fit Center 512 is at 2.459882 4.178976 4.544880 ESP Fit Center 513 is at 2.867389 4.178976 4.502049 ESP Fit Center 514 is at 2.663635 4.531887 4.502049 ESP Fit Center 515 is at 2.256129 4.531887 4.502049 ESP Fit Center 516 is at 2.052375 4.178976 4.502049 ESP Fit Center 517 is at 2.256129 3.826065 4.502049 ESP Fit Center 518 is at 2.663635 3.826065 4.502049 ESP Fit Center 519 is at 3.257086 4.178976 4.375429 ESP Fit Center 520 is at 3.150281 4.577578 4.375429 ESP Fit Center 521 is at 2.858484 4.869375 4.375429 ESP Fit Center 522 is at 2.459882 4.976180 4.375429 ESP Fit Center 523 is at 2.061280 4.869375 4.375429 ESP Fit Center 524 is at 1.769483 4.577578 4.375429 ESP Fit Center 525 is at 1.662678 4.178976 4.375429 ESP Fit Center 526 is at 1.769483 3.780374 4.375429 ESP Fit Center 527 is at 2.061280 3.488577 4.375429 ESP Fit Center 528 is at 2.459882 3.381772 4.375429 ESP Fit Center 529 is at 2.858484 3.488577 4.375429 ESP Fit Center 530 is at 3.150281 3.780374 4.375429 ESP Fit Center 531 is at 3.611941 4.178976 4.170553 ESP Fit Center 532 is at 3.534145 4.595148 4.170553 ESP Fit Center 533 is at 3.311264 4.955113 4.170553 ESP Fit Center 534 is at 2.973399 5.210257 4.170553 ESP Fit Center 535 is at 2.566181 5.326121 4.170553 ESP Fit Center 536 is at 2.144606 5.287056 4.170553 ESP Fit Center 537 is at 1.765611 5.098339 4.170553 ESP Fit Center 538 is at 1.480382 4.785457 4.170553 ESP Fit Center 539 is at 1.327439 4.390666 4.170553 ESP Fit Center 540 is at 1.327439 3.967286 4.170553 ESP Fit Center 541 is at 2.566181 3.031831 4.170553 ESP Fit Center 542 is at 2.973399 3.147695 4.170553 ESP Fit Center 543 is at 3.311264 3.402839 4.170553 ESP Fit Center 544 is at 3.534145 3.762804 4.170553 ESP Fit Center 545 is at 3.916446 4.178976 3.896376 ESP Fit Center 546 is at 3.857445 4.589337 3.896376 ESP Fit Center 547 is at 3.685222 4.966454 3.896376 ESP Fit Center 548 is at 3.413729 5.279773 3.896376 ESP Fit Center 549 is at 3.064961 5.503913 3.896376 ESP Fit Center 550 is at 2.667173 5.620714 3.896376 ESP Fit Center 551 is at 2.252591 5.620714 3.896376 ESP Fit Center 552 is at 1.854804 5.503913 3.896376 ESP Fit Center 553 is at 1.506036 5.279773 3.896376 ESP Fit Center 554 is at 1.234543 4.966454 3.896376 ESP Fit Center 555 is at 1.062319 4.589337 3.896376 ESP Fit Center 556 is at 1.003318 4.178976 3.896376 ESP Fit Center 557 is at 3.413729 3.078178 3.896376 ESP Fit Center 558 is at 3.685222 3.391498 3.896376 ESP Fit Center 559 is at 3.857445 3.768614 3.896376 ESP Fit Center 560 is at 4.157292 4.178976 3.564880 ESP Fit Center 561 is at 4.103965 4.601105 3.564880 ESP Fit Center 562 is at 3.947334 4.996709 3.564880 ESP Fit Center 563 is at 3.697241 5.340933 3.564880 ESP Fit Center 564 is at 3.369400 5.612146 3.564880 ESP Fit Center 565 is at 2.984411 5.793309 3.564880 ESP Fit Center 566 is at 2.566463 5.873036 3.564880 ESP Fit Center 567 is at 2.141819 5.846320 3.564880 ESP Fit Center 568 is at 1.737160 5.714838 3.564880 ESP Fit Center 569 is at 1.377912 5.486853 3.564880 ESP Fit Center 570 is at 1.086649 5.176688 3.564880 ESP Fit Center 571 is at .881670 4.803834 3.564880 ESP Fit Center 572 is at .775857 4.391718 3.564880 ESP Fit Center 573 is at 3.947334 3.361242 3.564880 ESP Fit Center 574 is at 4.103965 3.756847 3.564880 ESP Fit Center 575 is at 4.323953 4.178976 3.190553 ESP Fit Center 576 is at 4.277217 4.593771 3.190553 ESP Fit Center 577 is at 4.139352 4.987766 3.190553 ESP Fit Center 578 is at 3.917271 5.341205 3.190553 ESP Fit Center 579 is at 3.622111 5.636365 3.190553 ESP Fit Center 580 is at 3.268672 5.858446 3.190553 ESP Fit Center 581 is at 2.874677 5.996311 3.190553 ESP Fit Center 582 is at 2.459882 6.043047 3.190553 ESP Fit Center 583 is at 2.045087 5.996311 3.190553 ESP Fit Center 584 is at 1.651092 5.858446 3.190553 ESP Fit Center 585 is at 1.297653 5.636365 3.190553 ESP Fit Center 586 is at 1.002493 5.341205 3.190553 ESP Fit Center 587 is at .780412 4.987766 3.190553 ESP Fit Center 588 is at .642547 4.593771 3.190553 ESP Fit Center 589 is at 4.277217 3.764181 3.190553 ESP Fit Center 590 is at 4.409145 4.178976 2.789756 ESP Fit Center 591 is at 4.363572 4.598010 2.789756 ESP Fit Center 592 is at 4.228985 4.997450 2.789756 ESP Fit Center 593 is at 4.011677 5.358620 2.789756 ESP Fit Center 594 is at 3.721808 5.664630 2.789756 ESP Fit Center 595 is at 3.372933 5.901173 2.789756 ESP Fit Center 596 is at 2.981365 6.057188 2.789756 ESP Fit Center 597 is at 2.565413 6.125380 2.789756 ESP Fit Center 598 is at 2.144526 6.102560 2.789756 ESP Fit Center 599 is at 1.738385 5.989796 2.789756 ESP Fit Center 600 is at 1.365981 5.792359 2.789756 ESP Fit Center 601 is at 1.044726 5.519483 2.789756 ESP Fit Center 602 is at .789642 5.183926 2.789756 ESP Fit Center 603 is at .612657 4.801379 2.789756 ESP Fit Center 604 is at .522046 4.389728 2.789756 ESP Fit Center 605 is at 4.363572 4.598010 2.380004 ESP Fit Center 606 is at 4.228985 4.997450 2.380004 ESP Fit Center 607 is at 4.011677 5.358620 2.380004 ESP Fit Center 608 is at 3.721808 5.664630 2.380004 ESP Fit Center 609 is at 3.372933 5.901173 2.380004 ESP Fit Center 610 is at 2.981365 6.057188 2.380004 ESP Fit Center 611 is at 2.565413 6.125380 2.380004 ESP Fit Center 612 is at 2.144526 6.102560 2.380004 ESP Fit Center 613 is at 1.738385 5.989796 2.380004 ESP Fit Center 614 is at 1.365981 5.792359 2.380004 ESP Fit Center 615 is at 1.044726 5.519483 2.380004 ESP Fit Center 616 is at .789642 5.183926 2.380004 ESP Fit Center 617 is at .612657 4.801379 2.380004 ESP Fit Center 618 is at .522046 4.389728 2.380004 ESP Fit Center 619 is at .522046 3.968223 2.380004 ESP Fit Center 620 is at 4.139352 4.987766 1.979207 ESP Fit Center 621 is at 3.917271 5.341205 1.979207 ESP Fit Center 622 is at 3.622111 5.636365 1.979207 ESP Fit Center 623 is at 3.268672 5.858446 1.979207 ESP Fit Center 624 is at 2.874677 5.996311 1.979207 ESP Fit Center 625 is at 2.459882 6.043047 1.979207 ESP Fit Center 626 is at 2.045087 5.996311 1.979207 ESP Fit Center 627 is at 1.651092 5.858446 1.979207 ESP Fit Center 628 is at 1.297653 5.636365 1.979207 ESP Fit Center 629 is at 1.002493 5.341205 1.979207 ESP Fit Center 630 is at .780412 4.987766 1.979207 ESP Fit Center 631 is at .642547 4.593771 1.979207 ESP Fit Center 632 is at .595811 4.178976 1.979207 ESP Fit Center 633 is at .642547 3.764181 1.979207 ESP Fit Center 634 is at 3.369400 5.612146 1.604880 ESP Fit Center 635 is at 2.984411 5.793309 1.604880 ESP Fit Center 636 is at 2.566463 5.873036 1.604880 ESP Fit Center 637 is at 2.141819 5.846320 1.604880 ESP Fit Center 638 is at 1.737160 5.714838 1.604880 ESP Fit Center 639 is at 1.377912 5.486853 1.604880 ESP Fit Center 640 is at 1.086649 5.176688 1.604880 ESP Fit Center 641 is at .881670 4.803834 1.604880 ESP Fit Center 642 is at .775857 4.391718 1.604880 ESP Fit Center 643 is at 2.667173 5.620714 1.273384 ESP Fit Center 644 is at 2.252591 5.620714 1.273384 ESP Fit Center 645 is at 1.854804 5.503913 1.273384 ESP Fit Center 646 is at 1.506036 5.279773 1.273384 ESP Fit Center 647 is at 1.234543 4.966454 1.273384 ESP Fit Center 648 is at 1.062319 4.589337 1.273384 ESP Fit Center 649 is at 2.144606 5.287056 .999207 ESP Fit Center 650 is at 1.765611 5.098339 .999207 ESP Fit Center 651 is at 1.480382 4.785457 .999207 ESP Fit Center 652 is at 3.138349 .769727 4.011441 ESP Fit Center 653 is at 3.548039 .769727 3.971090 ESP Fit Center 654 is at 3.343194 1.124529 3.971090 ESP Fit Center 655 is at 3.941984 .769727 3.851588 ESP Fit Center 656 is at 3.834317 1.171544 3.851588 ESP Fit Center 657 is at 4.305046 .769727 3.657527 ESP Fit Center 658 is at 4.226262 1.191187 3.657527 ESP Fit Center 659 is at 4.000549 1.555726 3.657527 ESP Fit Center 660 is at 4.623273 .769727 3.396365 ESP Fit Center 661 is at 4.563123 1.188078 3.396365 ESP Fit Center 662 is at 4.387547 1.572538 3.396365 ESP Fit Center 663 is at 4.563123 .351375 3.396365 ESP Fit Center 664 is at 4.884435 .769727 3.078138 ESP Fit Center 665 is at 4.833697 1.187593 3.078138 ESP Fit Center 666 is at 4.684432 1.581174 3.078138 ESP Fit Center 667 is at 4.445313 1.927596 3.078138 ESP Fit Center 668 is at 4.833697 .351861 3.078138 ESP Fit Center 669 is at 5.078496 .769727 2.715076 ESP Fit Center 670 is at 5.033136 1.186801 2.715076 ESP Fit Center 671 is at 4.899179 1.584373 2.715076 ESP Fit Center 672 is at 4.682887 1.943854 2.715076 ESP Fit Center 673 is at 4.394374 2.248433 2.715076 ESP Fit Center 674 is at 4.828834 1.946339 2.321131 ESP Fit Center 675 is at 4.557379 2.262546 2.321131 ESP Fit Center 676 is at 4.909519 -1.309601 3.645638 ESP Fit Center 677 is at 5.317026 -1.309601 3.602807 ESP Fit Center 678 is at 5.113272 -.956690 3.602807 ESP Fit Center 679 is at 4.705765 -.956690 3.602807 ESP Fit Center 680 is at 5.113272 -1.662512 3.602807 ESP Fit Center 681 is at 5.706723 -1.309601 3.476187 ESP Fit Center 682 is at 5.599918 -.910999 3.476187 ESP Fit Center 683 is at 5.308121 -.619202 3.476187 ESP Fit Center 684 is at 4.909519 -.512397 3.476187 ESP Fit Center 685 is at 5.308121 -2.000000 3.476187 ESP Fit Center 686 is at 5.599918 -1.708203 3.476187 ESP Fit Center 687 is at 6.061578 -1.309601 3.271311 ESP Fit Center 688 is at 5.983782 -.893429 3.271311 ESP Fit Center 689 is at 5.760901 -.533464 3.271311 ESP Fit Center 690 is at 5.423036 -.278320 3.271311 ESP Fit Center 691 is at 5.015818 -.162457 3.271311 ESP Fit Center 692 is at 5.423036 -2.340882 3.271311 ESP Fit Center 693 is at 5.760901 -2.085738 3.271311 ESP Fit Center 694 is at 5.983782 -1.725773 3.271311 ESP Fit Center 695 is at 6.366083 -1.309601 2.997134 ESP Fit Center 696 is at 6.307082 -.899240 2.997134 ESP Fit Center 697 is at 6.134858 -.522123 2.997134 ESP Fit Center 698 is at 5.863365 -.208804 2.997134 ESP Fit Center 699 is at 5.514597 .015336 2.997134 ESP Fit Center 700 is at 5.116810 .132137 2.997134 ESP Fit Center 701 is at 5.514597 -2.634538 2.997134 ESP Fit Center 702 is at 5.863365 -2.410399 2.997134 ESP Fit Center 703 is at 6.134858 -2.097079 2.997134 ESP Fit Center 704 is at 6.307082 -1.719963 2.997134 ESP Fit Center 705 is at 6.606929 -1.309601 2.665638 ESP Fit Center 706 is at 6.553601 -.887473 2.665638 ESP Fit Center 707 is at 6.396970 -.491868 2.665638 ESP Fit Center 708 is at 6.146877 -.147644 2.665638 ESP Fit Center 709 is at 5.819037 .123569 2.665638 ESP Fit Center 710 is at 5.434047 .304731 2.665638 ESP Fit Center 711 is at 5.434047 -2.923934 2.665638 ESP Fit Center 712 is at 5.819037 -2.742772 2.665638 ESP Fit Center 713 is at 6.146877 -2.471558 2.665638 ESP Fit Center 714 is at 6.396970 -2.127335 2.665638 ESP Fit Center 715 is at 6.553601 -1.731730 2.665638 ESP Fit Center 716 is at 6.773590 -1.309601 2.291311 ESP Fit Center 717 is at 6.726854 -.894806 2.291311 ESP Fit Center 718 is at 6.588989 -.500811 2.291311 ESP Fit Center 719 is at 6.366908 -.147372 2.291311 ESP Fit Center 720 is at 6.071748 .147788 2.291311 ESP Fit Center 721 is at 5.718309 .369869 2.291311 ESP Fit Center 722 is at 5.718309 -2.989071 2.291311 ESP Fit Center 723 is at 6.071748 -2.766990 2.291311 ESP Fit Center 724 is at 6.726854 -1.724396 2.291311 ESP Fit Center 725 is at 6.858782 -1.309601 1.890514 ESP Fit Center 726 is at 6.813209 -.890567 1.890514 ESP Fit Center 727 is at 6.678622 -.491127 1.890514 ESP Fit Center 728 is at 6.461314 -.129958 1.890514 ESP Fit Center 729 is at 6.171445 .176053 1.890514 ESP Fit Center 730 is at 5.822570 .412596 1.890514 ESP Fit Center 731 is at 6.678622 -.491127 1.480762 ESP Fit Center 732 is at 6.461314 -.129958 1.480762 ESP Fit Center 733 is at 6.171445 .176053 1.480762 ESP Fit Center 734 is at 5.822570 .412596 1.480762 ESP Fit Center 735 is at 1.726062 -3.378787 2.775277 ESP Fit Center 736 is at 2.133569 -3.378787 2.775277 ESP Fit Center 737 is at 1.239417 -3.424478 2.648657 ESP Fit Center 738 is at 1.531214 -3.716275 2.648657 ESP Fit Center 739 is at 1.929816 -3.823080 2.648657 ESP Fit Center 740 is at 2.328418 -3.716275 2.648657 ESP Fit Center 741 is at .797373 -3.237566 2.443781 ESP Fit Center 742 is at .950316 -3.632357 2.443781 ESP Fit Center 743 is at 1.235545 -3.945239 2.443781 ESP Fit Center 744 is at 1.614540 -4.133956 2.443781 ESP Fit Center 745 is at 2.036114 -4.173021 2.443781 ESP Fit Center 746 is at 2.443333 -4.057157 2.443781 ESP Fit Center 747 is at 2.781198 -3.802013 2.443781 ESP Fit Center 748 is at .532253 -2.615515 2.169604 ESP Fit Center 749 is at .473252 -3.025876 2.169604 ESP Fit Center 750 is at .532253 -3.436238 2.169604 ESP Fit Center 751 is at .704476 -3.813354 2.169604 ESP Fit Center 752 is at .975969 -4.126674 2.169604 ESP Fit Center 753 is at 1.324737 -4.350813 2.169604 ESP Fit Center 754 is at 1.722525 -4.467614 2.169604 ESP Fit Center 755 is at 2.137107 -4.467614 2.169604 ESP Fit Center 756 is at 2.534894 -4.350813 2.169604 ESP Fit Center 757 is at 2.883662 -4.126674 2.169604 ESP Fit Center 758 is at .556583 -2.028164 1.838108 ESP Fit Center 759 is at .351604 -2.401018 1.838108 ESP Fit Center 760 is at .245791 -2.813134 1.838108 ESP Fit Center 761 is at .245791 -3.238618 1.838108 ESP Fit Center 762 is at .351604 -3.650734 1.838108 ESP Fit Center 763 is at .556583 -4.023589 1.838108 ESP Fit Center 764 is at .847846 -4.333753 1.838108 ESP Fit Center 765 is at 1.207094 -4.561738 1.838108 ESP Fit Center 766 is at 1.611753 -4.693220 1.838108 ESP Fit Center 767 is at 2.036397 -4.719936 1.838108 ESP Fit Center 768 is at 2.454344 -4.640209 1.838108 ESP Fit Center 769 is at 2.839334 -4.459047 1.838108 ESP Fit Center 770 is at .472427 -1.863647 1.463781 ESP Fit Center 771 is at .250346 -2.217086 1.463781 ESP Fit Center 772 is at .112481 -2.611081 1.463781 ESP Fit Center 773 is at .065745 -3.025876 1.463781 ESP Fit Center 774 is at .112481 -3.440671 1.463781 ESP Fit Center 775 is at .250346 -3.834666 1.463781 ESP Fit Center 776 is at .472427 -4.188105 1.463781 ESP Fit Center 777 is at .767587 -4.483265 1.463781 ESP Fit Center 778 is at 1.121026 -4.705346 1.463781 ESP Fit Center 779 is at 1.515021 -4.843211 1.463781 ESP Fit Center 780 is at 1.929816 -4.889947 1.463781 ESP Fit Center 781 is at 2.344611 -4.843211 1.463781 ESP Fit Center 782 is at 2.738606 -4.705346 1.463781 ESP Fit Center 783 is at .835915 -1.412493 1.062984 ESP Fit Center 784 is at .082591 -3.648279 1.062984 ESP Fit Center 785 is at .259576 -4.030826 1.062984 ESP Fit Center 786 is at .514660 -4.366383 1.062984 ESP Fit Center 787 is at .835915 -4.639260 1.062984 ESP Fit Center 788 is at 1.208319 -4.836696 1.062984 ESP Fit Center 789 is at 1.614460 -4.949460 1.062984 ESP Fit Center 790 is at 2.035347 -4.972280 1.062984 ESP Fit Center 791 is at 2.451299 -4.904088 1.062984 ESP Fit Center 792 is at .259576 -4.030826 .653232 ESP Fit Center 793 is at .514660 -4.366383 .653232 ESP Fit Center 794 is at .835915 -4.639260 .653232 ESP Fit Center 795 is at 1.208319 -4.836696 .653232 ESP Fit Center 796 is at 1.614460 -4.949460 .653232 ESP Fit Center 797 is at 2.035347 -4.972280 .653232 ESP Fit Center 798 is at 2.451299 -4.904088 .653232 ESP Fit Center 799 is at .767587 -4.483265 .252435 ESP Fit Center 800 is at 1.121026 -4.705346 .252435 ESP Fit Center 801 is at 1.515021 -4.843211 .252435 ESP Fit Center 802 is at 1.929816 -4.889947 .252435 ESP Fit Center 803 is at 2.344611 -4.843211 .252435 ESP Fit Center 804 is at 2.738606 -4.705346 .252435 ESP Fit Center 805 is at 1.207094 -4.561738 -.121892 ESP Fit Center 806 is at 1.611753 -4.693220 -.121892 ESP Fit Center 807 is at 2.036397 -4.719936 -.121892 ESP Fit Center 808 is at 2.454344 -4.640209 -.121892 ESP Fit Center 809 is at 1.722525 -4.467614 -.453388 ESP Fit Center 810 is at 2.137107 -4.467614 -.453388 ESP Fit Center 811 is at 2.534894 -4.350813 -.453388 ESP Fit Center 812 is at 2.036114 -4.173021 -.727565 ESP Fit Center 813 is at 2.443333 -4.057157 -.727565 ESP Fit Center 814 is at 2.328418 -3.716275 -.932441 ESP Fit Center 815 is at 4.529286 -4.127136 2.768593 ESP Fit Center 816 is at 4.936793 -4.127136 2.725762 ESP Fit Center 817 is at 4.733039 -3.774225 2.725762 ESP Fit Center 818 is at 4.121779 -4.127136 2.725762 ESP Fit Center 819 is at 4.325532 -4.480047 2.725762 ESP Fit Center 820 is at 4.733039 -4.480047 2.725762 ESP Fit Center 821 is at 5.326490 -4.127136 2.599142 ESP Fit Center 822 is at 5.219685 -3.728534 2.599142 ESP Fit Center 823 is at 4.927888 -3.436737 2.599142 ESP Fit Center 824 is at 3.732082 -4.127136 2.599142 ESP Fit Center 825 is at 3.838887 -4.525738 2.599142 ESP Fit Center 826 is at 4.130684 -4.817535 2.599142 ESP Fit Center 827 is at 4.529286 -4.924340 2.599142 ESP Fit Center 828 is at 4.927888 -4.817535 2.599142 ESP Fit Center 829 is at 5.219685 -4.525738 2.599142 ESP Fit Center 830 is at 5.681345 -4.127136 2.394266 ESP Fit Center 831 is at 5.603549 -3.710964 2.394266 ESP Fit Center 832 is at 5.380668 -3.350999 2.394266 ESP Fit Center 833 is at 3.396843 -4.338826 2.394266 ESP Fit Center 834 is at 3.549785 -4.733617 2.394266 ESP Fit Center 835 is at 3.835015 -5.046499 2.394266 ESP Fit Center 836 is at 4.214010 -5.235216 2.394266 ESP Fit Center 837 is at 4.635584 -5.274281 2.394266 ESP Fit Center 838 is at 5.042803 -5.158417 2.394266 ESP Fit Center 839 is at 5.380668 -4.903273 2.394266 ESP Fit Center 840 is at 5.603549 -4.543308 2.394266 ESP Fit Center 841 is at 5.985850 -4.127136 2.120089 ESP Fit Center 842 is at 5.926849 -3.716775 2.120089 ESP Fit Center 843 is at 5.754625 -3.339658 2.120089 ESP Fit Center 844 is at 3.072722 -4.127136 2.120089 ESP Fit Center 845 is at 3.131723 -4.537498 2.120089 ESP Fit Center 846 is at 3.303946 -4.914614 2.120089 ESP Fit Center 847 is at 3.575439 -5.227934 2.120089 ESP Fit Center 848 is at 3.924207 -5.452073 2.120089 ESP Fit Center 849 is at 4.321995 -5.568874 2.120089 ESP Fit Center 850 is at 4.736577 -5.568874 2.120089 ESP Fit Center 851 is at 5.134364 -5.452073 2.120089 ESP Fit Center 852 is at 5.483132 -5.227934 2.120089 ESP Fit Center 853 is at 5.754625 -4.914614 2.120089 ESP Fit Center 854 is at 5.926849 -4.537498 2.120089 ESP Fit Center 855 is at 6.226696 -4.127136 1.788593 ESP Fit Center 856 is at 6.173368 -3.705007 1.788593 ESP Fit Center 857 is at 2.951074 -4.751994 1.788593 ESP Fit Center 858 is at 3.156053 -5.124849 1.788593 ESP Fit Center 859 is at 3.447316 -5.435013 1.788593 ESP Fit Center 860 is at 3.806564 -5.662998 1.788593 ESP Fit Center 861 is at 4.211223 -5.794480 1.788593 ESP Fit Center 862 is at 4.635867 -5.821196 1.788593 ESP Fit Center 863 is at 5.053814 -5.741469 1.788593 ESP Fit Center 864 is at 5.438804 -5.560307 1.788593 ESP Fit Center 865 is at 6.173368 -4.549265 1.788593 ESP Fit Center 866 is at 2.849816 -4.935926 1.414266 ESP Fit Center 867 is at 3.071897 -5.289365 1.414266 ESP Fit Center 868 is at 3.367057 -5.584525 1.414266 ESP Fit Center 869 is at 3.720496 -5.806606 1.414266 ESP Fit Center 870 is at 4.114491 -5.944471 1.414266 ESP Fit Center 871 is at 4.529286 -5.991207 1.414266 ESP Fit Center 872 is at 4.944081 -5.944471 1.414266 ESP Fit Center 873 is at 2.859046 -5.132086 1.013469 ESP Fit Center 874 is at 3.114130 -5.467643 1.013469 ESP Fit Center 875 is at 3.435385 -5.740520 1.013469 ESP Fit Center 876 is at 3.807789 -5.937956 1.013469 ESP Fit Center 877 is at 4.213930 -6.050720 1.013469 ESP Fit Center 878 is at 2.859046 -5.132086 .603717 ESP Fit Center 879 is at 3.114130 -5.467643 .603717 ESP Fit Center 880 is at 3.435385 -5.740520 .603717 ESP Fit Center 881 is at 3.807789 -5.937956 .603717 ESP Fit Center 882 is at 4.213930 -6.050720 .603717 ESP Fit Center 883 is at 2.849816 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1.373580 -2.567054 ESP Fit Center 903 is at 6.702702 .211351 -2.967851 ESP Fit Center 904 is at 6.657129 .630385 -2.967851 ESP Fit Center 905 is at 6.522542 1.029825 -2.967851 ESP Fit Center 906 is at 6.305234 1.390995 -2.967851 ESP Fit Center 907 is at 6.015365 1.697005 -2.967851 ESP Fit Center 908 is at 4.438083 -1.712233 -2.967851 ESP Fit Center 909 is at 4.858970 -1.735053 -2.967851 ESP Fit Center 910 is at 6.522542 -.607123 -2.967851 ESP Fit Center 911 is at 6.657129 -.207683 -2.967851 ESP Fit Center 912 is at 6.702702 .211351 -3.377603 ESP Fit Center 913 is at 6.657129 .630385 -3.377603 ESP Fit Center 914 is at 6.522542 1.029825 -3.377603 ESP Fit Center 915 is at 6.305234 1.390995 -3.377603 ESP Fit Center 916 is at 6.015365 1.697005 -3.377603 ESP Fit Center 917 is at 5.666490 1.933548 -3.377603 ESP Fit Center 918 is at 4.031942 -1.599469 -3.377603 ESP Fit Center 919 is at 4.438083 -1.712233 -3.377603 ESP Fit Center 920 is at 4.858970 -1.735053 -3.377603 ESP Fit Center 921 is at 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Center 940 is at 5.915668 -1.246038 -3.778400 ESP Fit Center 941 is at 6.210828 -.950878 -3.778400 ESP Fit Center 942 is at 6.432909 -.597439 -3.778400 ESP Fit Center 943 is at 6.570774 -.203444 -3.778400 ESP Fit Center 944 is at 6.450849 .211351 -4.152727 ESP Fit Center 945 is at 6.397521 .633479 -4.152727 ESP Fit Center 946 is at 6.240890 1.029084 -4.152727 ESP Fit Center 947 is at 5.990797 1.373308 -4.152727 ESP Fit Center 948 is at 5.662957 1.644521 -4.152727 ESP Fit Center 949 is at 5.277967 1.825683 -4.152727 ESP Fit Center 950 is at 4.860020 1.905411 -4.152727 ESP Fit Center 951 is at 3.380206 -.786362 -4.152727 ESP Fit Center 952 is at 3.671469 -1.096526 -4.152727 ESP Fit Center 953 is at 4.030717 -1.324511 -4.152727 ESP Fit Center 954 is at 4.435376 -1.455993 -4.152727 ESP Fit Center 955 is at 4.860020 -1.482709 -4.152727 ESP Fit Center 956 is at 5.277967 -1.402982 -4.152727 ESP Fit Center 957 is at 5.662957 -1.221820 -4.152727 ESP Fit Center 958 is at 5.990797 -.950606 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-.576127 -4.484223 ESP Fit Center 978 is at 6.151002 -.199011 -4.484223 ESP Fit Center 979 is at 5.905498 .211351 -4.758400 ESP Fit Center 980 is at 5.827702 .627523 -4.758400 ESP Fit Center 981 is at 5.604821 .987488 -4.758400 ESP Fit Center 982 is at 5.266956 1.242632 -4.758400 ESP Fit Center 983 is at 4.859738 1.358495 -4.758400 ESP Fit Center 984 is at 4.438163 1.319431 -4.758400 ESP Fit Center 985 is at 4.059168 1.130714 -4.758400 ESP Fit Center 986 is at 3.773939 .817832 -4.758400 ESP Fit Center 987 is at 3.620996 .423041 -4.758400 ESP Fit Center 988 is at 3.620996 -.000339 -4.758400 ESP Fit Center 989 is at 3.773939 -.395130 -4.758400 ESP Fit Center 990 is at 4.059168 -.708012 -4.758400 ESP Fit Center 991 is at 4.438163 -.896729 -4.758400 ESP Fit Center 992 is at 4.859738 -.935794 -4.758400 ESP Fit Center 993 is at 5.266956 -.819930 -4.758400 ESP Fit Center 994 is at 5.604821 -.564786 -4.758400 ESP Fit Center 995 is at 5.827702 -.204821 -4.758400 ESP Fit Center 996 is at 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1015 is at 5.130358 2.434465 -.810085 ESP Fit Center 1016 is at 4.973727 2.830069 -.810085 ESP Fit Center 1017 is at 1.802250 2.225078 -.810085 ESP Fit Center 1018 is at 5.165745 2.821126 -1.184412 ESP Fit Center 1019 is at 4.943664 3.174565 -1.184412 ESP Fit Center 1020 is at 4.648504 3.469725 -1.184412 ESP Fit Center 1021 is at 2.028886 3.174565 -1.184412 ESP Fit Center 1022 is at 1.806805 2.821126 -1.184412 ESP Fit Center 1023 is at 1.668940 2.427131 -1.184412 ESP Fit Center 1024 is at 5.255378 2.830810 -1.585209 ESP Fit Center 1025 is at 5.038070 3.191980 -1.585209 ESP Fit Center 1026 is at 4.748201 3.497990 -1.585209 ESP Fit Center 1027 is at 4.399326 3.734533 -1.585209 ESP Fit Center 1028 is at 4.007758 3.890548 -1.585209 ESP Fit Center 1029 is at 3.591806 3.958740 -1.585209 ESP Fit Center 1030 is at 3.170919 3.935920 -1.585209 ESP Fit Center 1031 is at 2.764778 3.823156 -1.585209 ESP Fit Center 1032 is at 2.392374 3.625719 -1.585209 ESP Fit Center 1033 is at 2.071119 3.352843 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1052 is at 4.648504 3.469725 -2.395758 ESP Fit Center 1053 is at 4.295065 3.691806 -2.395758 ESP Fit Center 1054 is at 3.901070 3.829670 -2.395758 ESP Fit Center 1055 is at 3.486275 3.876407 -2.395758 ESP Fit Center 1056 is at 3.071480 3.829670 -2.395758 ESP Fit Center 1057 is at 2.677485 3.691806 -2.395758 ESP Fit Center 1058 is at 2.324046 3.469725 -2.395758 ESP Fit Center 1059 is at 2.028886 3.174565 -2.395758 ESP Fit Center 1060 is at 1.806805 2.821126 -2.395758 ESP Fit Center 1061 is at 1.668940 2.427131 -2.395758 ESP Fit Center 1062 is at 1.622204 2.012336 -2.395758 ESP Fit Center 1063 is at 4.973727 2.830069 -2.770085 ESP Fit Center 1064 is at 4.723633 3.174293 -2.770085 ESP Fit Center 1065 is at 4.395793 3.445506 -2.770085 ESP Fit Center 1066 is at 4.010803 3.626669 -2.770085 ESP Fit Center 1067 is at 3.592856 3.706396 -2.770085 ESP Fit Center 1068 is at 3.168212 3.679680 -2.770085 ESP Fit Center 1069 is at 2.763553 3.548198 -2.770085 ESP Fit Center 1070 is at 2.404305 3.320213 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1089 is at 2.353832 2.224026 -3.375758 ESP Fit Center 1090 is at 3.884877 2.702735 -3.580634 ESP Fit Center 1091 is at 3.486275 2.809540 -3.580634 ESP Fit Center 1092 is at 3.087673 2.702735 -3.580634 ESP Fit Center 1093 is at 2.795876 2.410938 -3.580634 ESP Fit Center 1094 is at .251974 2.064350 -1.535299 ESP Fit Center 1095 is at .560188 2.187625 -1.909626 ESP Fit Center 1096 is at .145393 2.234361 -1.909626 ESP Fit Center 1097 is at 1.058444 2.092487 -2.310423 ESP Fit Center 1098 is at .666876 2.248502 -2.310423 ESP Fit Center 1099 is at .250924 2.316694 -2.310423 ESP Fit Center 1100 is at 1.407319 1.855944 -2.720175 ESP Fit Center 1101 is at 1.058444 2.092487 -2.720175 ESP Fit Center 1102 is at .666876 2.248502 -2.720175 ESP Fit Center 1103 is at .250924 2.316694 -2.720175 ESP Fit Center 1104 is at -.169963 2.293874 -2.720175 ESP Fit Center 1105 is at 1.602782 1.532519 -3.120972 ESP Fit Center 1106 is at 1.307622 1.827679 -3.120972 ESP Fit Center 1107 is at .954183 2.049760 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ESP Fit Center 1952 is at .153950 3.450638 .750818 ESP Fit Center 1953 is at -.199489 3.672719 .750818 ESP Fit Center 1954 is at -.593484 3.810584 .750818 ESP Fit Center 1955 is at .543516 3.172893 .350021 ESP Fit Center 1956 is at .253647 3.478903 .350021 ESP Fit Center 1957 is at -.095228 3.715446 .350021 ESP Fit Center 1958 is at -.486796 3.871461 .350021 ESP Fit Center 1959 is at .543516 3.172893 -.059731 ESP Fit Center 1960 is at .253647 3.478903 -.059731 ESP Fit Center 1961 is at -.095228 3.715446 -.059731 ESP Fit Center 1962 is at -.486796 3.871461 -.059731 ESP Fit Center 1963 is at .449110 3.155478 -.460528 ESP Fit Center 1964 is at .153950 3.450638 -.460528 ESP Fit Center 1965 is at -.199489 3.672719 -.460528 ESP Fit Center 1966 is at -.593484 3.810584 -.460528 ESP Fit Center 1967 is at .229079 3.155206 -.834855 ESP Fit Center 1968 is at -.098761 3.426419 -.834855 ESP Fit Center 1969 is at -.483751 3.607582 -.834855 ESP Fit Center 1970 is at -.901698 3.687309 -.834855 ESP Fit Center 1971 is at .217060 2.780727 -1.166351 ESP Fit Center 1972 is at -.054433 3.094046 -1.166351 ESP Fit Center 1973 is at -.403201 3.318186 -1.166351 ESP Fit Center 1974 is at -.800988 3.434987 -1.166351 ESP Fit Center 1975 is at -1.215570 3.434987 -1.166351 ESP Fit Center 1976 is at .065984 2.409421 -1.440528 ESP Fit Center 1977 is at -.156897 2.769386 -1.440528 ESP Fit Center 1978 is at -.494762 3.024530 -1.440528 ESP Fit Center 1979 is at .023396 .245628 1.387185 ESP Fit Center 1980 is at .176339 -.149163 1.387185 ESP Fit Center 1981 is at -.241724 .046956 1.113008 ESP Fit Center 1982 is at -.069501 -.330160 1.113008 ESP Fit Center 1983 is at .201992 -.643480 1.113008 ESP Fit Center 1984 is at .550760 -.867619 1.113008 ESP Fit Center 1985 is at -.422373 -.167540 .781512 ESP Fit Center 1986 is at -.217394 -.540395 .781512 ESP Fit Center 1987 is at 1.677322 2.335530 .006388 ESP Fit Center 1988 is at 1.677322 2.335530 -.403364 ESP Fit Center 1989 is at 1.261370 2.403722 -.403364 ESP Fit Center 1990 is at 1.570634 2.274653 -.804161 ESP Fit Center 1991 is at 1.155839 2.321389 -.804161 ESP Fit Center 1992 is at 1.262420 2.151378 -1.178488 ESP Fit Center 1993 is at -.102156 -1.778771 .491161 ESP Fit Center 1994 is at -.437395 -1.567081 .286285 ESP Fit Center 1995 is at -.437395 -1.990461 .286285 ESP Fit Center 1996 is at -.702515 -1.368410 .012108 ESP Fit Center 1997 is at -.761516 -1.778771 .012108 ESP Fit Center 1998 is at -.702515 -2.189133 .012108 ESP Fit Center 1999 is at -.530292 -2.566249 .012108 ESP Fit Center 2000 is at -.988977 -1.566029 -.319388 ESP Fit Center 2001 is at -.988977 -1.991513 -.319388 ESP Fit Center 2002 is at -.883164 -2.403629 -.319388 ESP Fit Center 2003 is at -.678185 -2.776484 -.319388 ESP Fit Center 2004 is at -.386922 -3.086648 -.319388 ESP Fit Center 2005 is at -1.169023 -1.778771 -.693715 ESP Fit Center 2006 is at -1.122287 -2.193566 -.693715 ESP Fit Center 2007 is at -.984422 -2.587561 -.693715 ESP Fit Center 2008 is at -.762341 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Fit Center 2045 is at 1.604566 -3.211942 -2.279388 ESP Fit Center 2046 is at 1.932406 -2.940728 -2.279388 ESP Fit Center 2047 is at 2.182499 -2.596504 -2.279388 ESP Fit Center 2048 is at -.530292 -2.566249 -2.610884 ESP Fit Center 2049 is at -.258799 -2.879569 -2.610884 ESP Fit Center 2050 is at .089969 -3.103708 -2.610884 ESP Fit Center 2051 is at .487757 -3.220509 -2.610884 ESP Fit Center 2052 is at .902339 -3.220509 -2.610884 ESP Fit Center 2053 is at 1.300126 -3.103708 -2.610884 ESP Fit Center 2054 is at 1.648894 -2.879569 -2.610884 ESP Fit Center 2055 is at 1.920387 -2.566249 -2.610884 ESP Fit Center 2056 is at -.284452 -2.385252 -2.885061 ESP Fit Center 2057 is at .000777 -2.698134 -2.885061 ESP Fit Center 2058 is at .379772 -2.886851 -2.885061 ESP Fit Center 2059 is at .801347 -2.925916 -2.885061 ESP Fit Center 2060 is at 1.208565 -2.810052 -2.885061 ESP Fit Center 2061 is at 1.546430 -2.554908 -2.885061 ESP Fit Center 2062 is at .004649 -2.177373 -3.089937 ESP Fit Center 2063 is at .296446 -2.469170 -3.089937 ESP Fit Center 2064 is at .695048 -2.575975 -3.089937 ESP Fit Center 2065 is at 1.093650 -2.469170 -3.089937 ESP Fit Center 2066 is at .491294 -2.131682 -3.216557 ESP Fit Center 2067 is at 6.864712 -.177826 1.363015 ESP Fit Center 2068 is at 6.647304 .198736 1.363015 ESP Fit Center 2069 is at 6.212488 .198736 1.363015 ESP Fit Center 2070 is at 7.269896 -.177826 1.195183 ESP Fit Center 2071 is at 7.157357 .242174 1.195183 ESP Fit Center 2072 is at 6.849896 .549635 1.195183 ESP Fit Center 2073 is at 6.429896 .662174 1.195183 ESP Fit Center 2074 is at 6.009896 .549635 1.195183 ESP Fit Center 2075 is at 7.157357 -.597826 1.195183 ESP Fit Center 2076 is at 7.617835 -.177826 .928199 ESP Fit Center 2077 is at 7.537616 .251307 .928199 ESP Fit Center 2078 is at 7.307794 .622483 .928199 ESP Fit Center 2079 is at 6.959406 .885574 .928199 ESP Fit Center 2080 is at 6.539505 1.005046 .928199 ESP Fit Center 2081 is at 6.104801 .964764 .928199 ESP Fit Center 2082 is 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is at 2.692729 -2.333074 4.229473 ESP Fit Center 2342 is at 2.805268 -2.753074 4.229473 ESP Fit Center 2343 is at 3.112729 -3.060535 4.229473 ESP Fit Center 2344 is at 3.532729 -3.173074 4.229473 ESP Fit Center 2345 is at 3.952729 -3.060535 4.229473 ESP Fit Center 2346 is at 4.260190 -2.753074 4.229473 ESP Fit Center 2347 is at 4.720668 -2.333074 3.962489 ESP Fit Center 2348 is at 4.640449 -1.903941 3.962489 ESP Fit Center 2349 is at 4.410627 -1.532765 3.962489 ESP Fit Center 2350 is at 4.062239 -1.269674 3.962489 ESP Fit Center 2351 is at 2.522722 -2.958444 3.962489 ESP Fit Center 2352 is at 2.816835 -3.281070 3.962489 ESP Fit Center 2353 is at 3.207634 -3.475665 3.962489 ESP Fit Center 2354 is at 3.642338 -3.515946 3.962489 ESP Fit Center 2355 is at 4.062239 -3.396474 3.962489 ESP Fit Center 2356 is at 4.410627 -3.133384 3.962489 ESP Fit Center 2357 is at 4.640449 -2.762207 3.962489 ESP Fit Center 2358 is at 4.987652 -2.333074 3.614550 ESP Fit Center 2359 is at 4.923013 -1.904228 3.614550 ESP Fit Center 2360 is at 2.466195 -3.322673 3.614550 ESP Fit Center 2361 is at 2.805268 -3.593074 3.614550 ESP Fit Center 2362 is at 3.208978 -3.751519 3.614550 ESP Fit Center 2363 is at 3.641455 -3.783929 3.614550 ESP Fit Center 2364 is at 4.064272 -3.687423 3.614550 ESP Fit Center 2365 is at 4.439858 -3.470578 3.614550 ESP Fit Center 2366 is at 4.734842 -3.152661 3.614550 ESP Fit Center 2367 is at 4.923013 -2.761920 3.614550 ESP Fit Center 2368 is at 2.385268 -3.480535 3.209366 ESP Fit Center 2369 is at 2.721351 -3.738422 3.209366 ESP Fit Center 2370 is at 3.112729 -3.900535 3.209366 ESP Fit Center 2371 is at 3.532729 -3.955830 3.209366 ESP Fit Center 2372 is at 3.952729 -3.900535 3.209366 ESP Fit Center 2373 is at 4.344107 -3.738422 3.209366 ESP Fit Center 2374 is at 4.680190 -3.480535 3.209366 ESP Fit Center 2375 is at 4.938076 -3.144452 3.209366 ESP Fit Center 2376 is at 5.100190 -2.753074 3.209366 ESP Fit Center 2377 is at 2.461857 -3.627536 2.774550 ESP Fit Center 2378 is at 2.817420 -3.853184 2.774550 ESP Fit Center 2379 is at 3.217928 -3.983317 2.774550 ESP Fit Center 2380 is at 3.638217 -4.009759 2.774550 ESP Fit Center 2381 is at 4.051877 -3.930849 2.774550 ESP Fit Center 2382 is at 4.432918 -3.751545 2.774550 ESP Fit Center 2383 is at 4.757396 -3.483113 2.774550 ESP Fit Center 2384 is at 5.004924 -3.142420 2.774550 ESP Fit Center 2385 is at 3.112729 -3.900535 2.339734 ESP Fit Center 2386 is at 1.459552 -1.681353 4.940041 ESP Fit Center 2387 is at 1.894368 -1.681353 4.882796 ESP Fit Center 2388 is at 1.024736 -1.681353 4.882796 ESP Fit Center 2389 is at 1.242144 -2.057915 4.882796 ESP Fit Center 2390 is at 1.676960 -2.057915 4.882796 ESP Fit Center 2391 is at .619552 -1.681353 4.714964 ESP Fit Center 2392 is at .732091 -2.101353 4.714964 ESP Fit Center 2393 is at 1.039552 -2.408814 4.714964 ESP Fit Center 2394 is at 1.459552 -2.521353 4.714964 ESP Fit Center 2395 is at 1.879552 -2.408814 4.714964 ESP Fit Center 2396 is at 2.187013 -2.101353 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Center 2434 is at .312091 -2.828814 2.825225 ESP Fit Center 2435 is at .648174 -3.086700 2.825225 ESP Fit Center 2436 is at 1.039552 -3.248814 2.825225 ESP Fit Center 2437 is at 1.459552 -3.304108 2.825225 ESP Fit Center 2438 is at 1.879552 -3.248814 2.825225 ESP Fit Center 2439 is at .020880 -1.898198 2.420041 ESP Fit Center 2440 is at .148712 -2.312620 2.420041 ESP Fit Center 2441 is at .393018 -2.670952 2.420041 ESP Fit Center 2442 is at .732091 -2.941353 2.420041 ESP Fit Center 2443 is at .449545 -2.306723 2.072102 ESP Fit Center 2444 is at -.016433 .187389 5.632832 ESP Fit Center 2445 is at .418383 .187389 5.575587 ESP Fit Center 2446 is at .200975 .563951 5.575587 ESP Fit Center 2447 is at -.233841 .563951 5.575587 ESP Fit Center 2448 is at -.451249 .187389 5.575587 ESP Fit Center 2449 is at -.233841 -.189173 5.575587 ESP Fit Center 2450 is at .200975 -.189173 5.575587 ESP Fit Center 2451 is at .403567 .914850 5.407755 ESP Fit Center 2452 is at -.016433 1.027389 5.407755 ESP Fit 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-4.208995 ESP Fit Center 3506 is at 1.103809 -1.170590 -4.208995 ESP Fit Center 3507 is at 1.509504 -1.061884 -4.208995 ESP Fit Center 3508 is at 1.513676 -.359200 -4.296341 ESP Fit Center 3509 is at 1.308742 -.714155 -4.296341 ESP Fit Center 3510 is at 3.028310 -2.462370 -2.416436 ESP Fit Center 3511 is at 2.922783 -2.407890 -2.822760 ESP Fit Center 3512 is at 3.326950 -2.285287 -2.822760 ESP Fit Center 3513 is at 2.712060 -2.288979 -3.208209 ESP Fit Center 3514 is at 3.122093 -2.201824 -3.208209 ESP Fit Center 3515 is at 3.505046 -2.031323 -3.208209 ESP Fit Center 3516 is at 2.398526 -2.079332 -3.559657 ESP Fit Center 3517 is at 2.812869 -2.055200 -3.559657 ESP Fit Center 3518 is at 3.210479 -1.936163 -3.559657 ESP Fit Center 3519 is at 2.287699 -1.788516 -3.865135 ESP Fit Center 3520 is at 2.717227 -1.788516 -3.865135 ESP Fit Center 3521 is at 3.129357 -1.667504 -3.865135 ESP Fit Center 3522 is at 1.791831 .646230 -4.114241 ESP Fit Center 3523 is at 1.791831 -1.235826 -4.114241 ESP Fit Center 3524 is at 2.179757 -1.428991 -4.114241 ESP Fit Center 3525 is at 2.611267 -1.468976 -4.114241 ESP Fit Center 3526 is at 3.028081 -1.350382 -4.114241 ESP Fit Center 3527 is at 1.801691 .109793 -4.298493 ESP Fit Center 3528 is at 1.693282 -.294798 -4.298493 ESP Fit Center 3529 is at 1.801691 -.699389 -4.298493 ESP Fit Center 3530 is at 2.097872 -.995570 -4.298493 ESP Fit Center 3531 is at 2.502463 -1.103979 -4.298493 ESP Fit Center 3532 is at 2.907054 -.995570 -4.298493 ESP Fit Center 3533 is at 2.090864 -.294798 -4.411615 ESP Fit Center 3534 is at 2.296663 -.651253 -4.411615 ESP Fit Center 3535 is at 2.708262 -.651253 -4.411615 ESP Fit Center 3536 is at 5.428314 2.120433 -.207396 ESP Fit Center 3537 is at 5.968211 1.800028 -.536350 ESP Fit Center 3538 is at 5.738097 2.140494 -.536350 ESP Fit Center 3539 is at 5.453753 2.437172 -.536350 ESP Fit Center 3540 is at 6.187270 1.807773 -.897000 ESP Fit Center 3541 is at 5.972478 2.158280 -.897000 ESP Fit Center 3542 is at 5.705500 2.470872 -.897000 ESP Fit Center 3543 is at 6.342747 1.817404 -1.282005 ESP Fit Center 3544 is at 6.136242 2.175081 -1.282005 ESP Fit Center 3545 is at 5.878735 2.497984 -1.282005 ESP Fit Center 3546 is at 5.575978 2.778902 -1.282005 ESP Fit Center 3547 is at 6.582882 1.439716 -1.683528 ESP Fit Center 3548 is at 6.434212 1.828429 -1.683528 ESP Fit Center 3549 is at 6.230530 2.191352 -1.683528 ESP Fit Center 3550 is at 5.976175 2.520752 -1.683528 ESP Fit Center 3551 is at 5.676571 2.809607 -1.683528 ESP Fit Center 3552 is at 6.703750 1.028303 -2.093395 ESP Fit Center 3553 is at 6.616404 1.429826 -2.093395 ESP Fit Center 3554 is at 6.472804 1.814831 -2.093395 ESP Fit Center 3555 is at 6.275874 2.175481 -2.093395 ESP Fit Center 3556 is at 6.029623 2.504435 -2.093395 ESP Fit Center 3557 is at 5.739063 2.794995 -2.093395 ESP Fit Center 3558 is at 6.582882 1.439716 -2.503262 ESP Fit Center 3559 is at 6.434212 1.828429 -2.503262 ESP Fit Center 3560 is at 6.230530 2.191352 -2.503262 ESP Fit Center 3561 is at 5.976175 2.520752 -2.503262 ESP Fit Center 3562 is at 5.676571 2.809607 -2.503262 ESP Fit Center 3563 is at 5.338101 3.051762 -2.503262 ESP Fit Center 3564 is at 6.342747 1.817404 -2.904785 ESP Fit Center 3565 is at 6.136242 2.175081 -2.904785 ESP Fit Center 3566 is at 5.878735 2.497984 -2.904785 ESP Fit Center 3567 is at 5.575978 2.778902 -2.904785 ESP Fit Center 3568 is at 5.234734 3.011558 -2.904785 ESP Fit Center 3569 is at 3.646559 -2.137177 -2.904785 ESP Fit Center 3570 is at 4.059569 -2.137177 -2.904785 ESP Fit Center 3571 is at 4.467965 -2.075621 -2.904785 ESP Fit Center 3572 is at 5.972478 2.158280 -3.289790 ESP Fit Center 3573 is at 5.705500 2.470872 -3.289790 ESP Fit Center 3574 is at 5.392909 2.737850 -3.289790 ESP Fit Center 3575 is at 5.042401 2.952641 -3.289790 ESP Fit Center 3576 is at 1.733650 2.158280 -3.289790 ESP Fit Center 3577 is at 3.853064 -2.001304 -3.289790 ESP Fit Center 3578 is at 5.453753 2.437172 -3.650441 ESP Fit Center 3579 is at 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3616 is at 2.310521 .830454 -4.516205 ESP Fit Center 3617 is at 2.310521 .406418 -4.516205 ESP Fit Center 3618 is at 2.424924 -.001893 -4.516205 ESP Fit Center 3619 is at 2.645246 -.364197 -4.516205 ESP Fit Center 3620 is at 2.955146 -.653623 -4.516205 ESP Fit Center 3621 is at 4.060816 1.796655 -4.713135 ESP Fit Center 3622 is at 3.645312 1.796655 -4.713135 ESP Fit Center 3623 is at 3.254866 1.654545 -4.713135 ESP Fit Center 3624 is at 2.936572 1.387464 -4.713135 ESP Fit Center 3625 is at 2.728820 1.027627 -4.713135 ESP Fit Center 3626 is at 2.656669 .618436 -4.713135 ESP Fit Center 3627 is at 2.728820 .209245 -4.713135 ESP Fit Center 3628 is at 2.936572 -.150592 -4.713135 ESP Fit Center 3629 is at 3.853064 1.429826 -4.856735 ESP Fit Center 3630 is at 3.447369 1.321120 -4.856735 ESP Fit Center 3631 is at 3.150380 1.024131 -4.856735 ESP Fit Center 3632 is at 3.041674 .618436 -4.856735 ESP Fit Center 3633 is at 3.150380 .212741 -4.856735 ESP Fit Center 3634 is at 3.443197 .618436 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3653 is at 4.315382 -1.245251 4.190505 ESP Fit Center 3654 is at 4.732138 -1.245251 4.013704 ESP Fit Center 3655 is at 4.523760 -.884330 4.013704 ESP Fit Center 3656 is at 3.629705 -.449075 4.585324 ESP Fit Center 3657 is at 3.519732 -.038651 4.585324 ESP Fit Center 3658 is at 3.519732 -.859499 4.585324 ESP Fit Center 3659 is at 4.008857 -.449075 4.408523 ESP Fit Center 3660 is at 3.936488 -.038651 4.408523 ESP Fit Center 3661 is at 3.728110 .322270 4.408523 ESP Fit Center 3662 is at 3.408857 .590155 4.408523 ESP Fit Center 3663 is at 3.728110 -1.220420 4.408523 ESP Fit Center 3664 is at 3.936488 -.859499 4.408523 ESP Fit Center 3665 is at 4.351547 -.449075 4.168569 ESP Fit Center 3666 is at 4.294340 -.032862 4.168569 ESP Fit Center 3667 is at 4.126961 .352482 4.168569 ESP Fit Center 3668 is at 4.294340 -.865288 4.168569 ESP Fit Center 3669 is at 4.647364 -.449075 3.872752 ESP Fit Center 3670 is at 4.597806 -.025086 3.872752 ESP Fit Center 3671 is at 4.844772 -.030684 3.530062 ESP Fit Center 3672 is at 1.681112 -.660626 5.425067 ESP Fit Center 3673 is at 2.097868 -.660626 5.388606 ESP Fit Center 3674 is at 1.472734 -1.021547 5.388606 ESP Fit Center 3675 is at 1.889490 -1.021547 5.388606 ESP Fit Center 3676 is at 2.501960 -.660626 5.280329 ESP Fit Center 3677 is at 2.391987 -.250202 5.280329 ESP Fit Center 3678 is at 1.270688 -1.371502 5.280329 ESP Fit Center 3679 is at 1.681112 -1.481474 5.280329 ESP Fit Center 3680 is at 2.091536 -1.371502 5.280329 ESP Fit Center 3681 is at 2.391987 -1.071050 5.280329 ESP Fit Center 3682 is at 2.881112 -.660626 5.103528 ESP Fit Center 3683 is at 2.808743 -.250202 5.103528 ESP Fit Center 3684 is at 2.600365 .110719 5.103528 ESP Fit Center 3685 is at .761859 -1.431971 5.103528 ESP Fit Center 3686 is at 2.281112 -1.699857 5.103528 ESP Fit Center 3687 is at 2.600365 -1.431971 5.103528 ESP Fit Center 3688 is at 2.808743 -1.071050 5.103528 ESP Fit Center 3689 is at 3.223802 -.660626 4.863574 ESP Fit Center 3690 is at 3.166595 -.244413 4.863574 ESP Fit Center 3691 is at 2.999216 .140931 4.863574 ESP Fit Center 3692 is at 2.734080 -1.788080 4.863574 ESP Fit Center 3693 is at 2.999216 -1.462183 4.863574 ESP Fit Center 3694 is at 3.166595 -1.076839 4.863574 ESP Fit Center 3695 is at 3.089490 .521143 4.567757 ESP Fit Center 3696 is at 3.324062 -1.485746 4.567757 ESP Fit Center 3697 is at 3.470061 -1.084615 4.567757 ESP Fit Center 3698 is at -.448363 -1.686127 2.608311 ESP Fit Center 3699 is at -.482796 -1.296007 2.204219 ESP Fit Center 3700 is at -.323445 -1.694047 2.204219 ESP Fit Center 3701 is at -.302029 -1.282841 1.825067 ESP Fit Center 3702 is at -.136183 -1.669307 1.825067 ESP Fit Center 3703 is at .104063 -2.014478 1.825067 ESP Fit Center 3704 is at -.144963 -.874064 1.482377 ESP Fit Center 3705 is at -.046519 -1.289432 1.482377 ESP Fit Center 3706 is at .145062 -1.670902 1.482377 ESP Fit Center 3707 is at .266139 -1.275236 1.186560 ESP Fit Center 3708 is at .878626 .378200 5.794274 ESP Fit Center 3709 is at 1.295382 .378200 5.757813 ESP Fit Center 3710 is at 1.087004 .739121 5.757813 ESP Fit Center 3711 is at .670248 .739121 5.757813 ESP Fit Center 3712 is at .670248 .017279 5.757813 ESP Fit Center 3713 is at 1.087004 .017279 5.757813 ESP Fit Center 3714 is at 1.699474 .378200 5.649536 ESP Fit Center 3715 is at 1.589501 .788624 5.649536 ESP Fit Center 3716 is at 1.289050 1.089075 5.649536 ESP Fit Center 3717 is at .878626 1.199048 5.649536 ESP Fit Center 3718 is at .468202 1.089075 5.649536 ESP Fit Center 3719 is at .878626 -.442648 5.649536 ESP Fit Center 3720 is at 1.289050 -.332676 5.649536 ESP Fit Center 3721 is at 1.589501 -.032224 5.649536 ESP Fit Center 3722 is at 2.078626 .378200 5.472735 ESP Fit Center 3723 is at 2.006257 .788624 5.472735 ESP Fit Center 3724 is at 1.797879 1.149545 5.472735 ESP Fit Center 3725 is at 1.478626 1.417430 5.472735 ESP Fit Center 3726 is at 1.087004 1.559969 5.472735 ESP Fit Center 3727 is at .670248 1.559969 5.472735 ESP Fit Center 3728 is at .278626 1.417430 5.472735 ESP Fit Center 3729 is at .670248 -.803569 5.472735 ESP Fit Center 3730 is at 1.087004 -.803569 5.472735 ESP Fit Center 3731 is at 1.478626 -.661031 5.472735 ESP Fit Center 3732 is at 1.797879 -.393145 5.472735 ESP Fit Center 3733 is at 2.006257 -.032224 5.472735 ESP Fit Center 3734 is at 2.421316 .378200 5.232781 ESP Fit Center 3735 is at 2.364109 .794413 5.232781 ESP Fit Center 3736 is at 2.196730 1.179757 5.232781 ESP Fit Center 3737 is at -.011013 1.638531 5.232781 ESP Fit Center 3738 is at .773349 -1.160894 5.232781 ESP Fit Center 3739 is at 2.717133 .378200 4.936964 ESP Fit Center 3740 is at 2.667575 .802189 4.936964 ESP Fit Center 3741 is at 2.914541 .796591 4.594274 ESP Fit Center 3742 is at -1.250849 1.403701 2.977518 ESP Fit Center 3743 is at -.754727 -1.330154 2.977518 ESP Fit Center 3744 is at -1.125931 1.411621 2.573426 ESP Fit Center 3745 is at -1.285282 1.013581 2.573426 ESP Fit Center 3746 is at -1.366424 .592576 2.573426 ESP Fit Center 3747 is at -1.366424 .163824 2.573426 ESP Fit Center 3748 is at -1.285282 -.257181 2.573426 ESP Fit Center 3749 is at -1.125931 -.655221 2.573426 ESP Fit Center 3750 is at -.894130 -1.015911 2.573426 ESP Fit Center 3751 is at -.598257 -1.326214 2.573426 ESP Fit Center 3752 is at -1.104515 1.000414 2.194274 ESP Fit Center 3753 is at -1.189171 .588474 2.194274 ESP Fit Center 3754 is at -1.189171 .167926 2.194274 ESP Fit Center 3755 is at -1.104515 -.244015 2.194274 ESP Fit Center 3756 is at -.938669 -.630481 2.194274 ESP Fit Center 3757 is at -.698423 -.975652 2.194274 ESP Fit Center 3758 is at -.947449 .164762 1.851584 ESP Fit Center 3759 is at -.849005 -.250606 1.851584 ESP Fit Center 3760 is at -.657424 -.632076 1.851584 ESP Fit Center 3761 is at -.649696 .168137 1.555767 ESP Fit Center 3762 is at -.536347 -.236410 1.555767 ESP Fit Center 3763 is at -.318056 -.595373 1.555767 ESP Fit Center 3764 is at 1.243632 1.668054 5.421422 ESP Fit Center 3765 is at 1.660388 1.668054 5.384961 ESP Fit Center 3766 is at 1.452010 2.028975 5.384961 ESP Fit Center 3767 is at 1.035254 2.028975 5.384961 ESP Fit Center 3768 is at 2.064480 1.668054 5.276684 ESP Fit Center 3769 is at 1.954508 2.078478 5.276684 ESP Fit Center 3770 is at 1.654056 2.378929 5.276684 ESP Fit Center 3771 is at 1.243632 2.488902 5.276684 ESP Fit Center 3772 is at .833208 2.378929 5.276684 ESP Fit Center 3773 is at .532756 2.078478 5.276684 ESP Fit Center 3774 is at 2.443632 1.668054 5.099883 ESP Fit Center 3775 is at 2.371263 2.078478 5.099883 ESP Fit Center 3776 is at 2.162885 2.439399 5.099883 ESP Fit Center 3777 is at 1.843632 2.707284 5.099883 ESP Fit Center 3778 is at 1.452010 2.849823 5.099883 ESP Fit Center 3779 is at .116001 2.078478 5.099883 ESP Fit Center 3780 is at 2.371263 1.257630 5.099883 ESP Fit Center 3781 is at 2.786322 1.668054 4.859929 ESP Fit Center 3782 is at 2.729115 2.084267 4.859929 ESP Fit Center 3783 is at 2.561736 2.469611 4.859929 ESP Fit Center 3784 is at 2.296600 2.795507 4.859929 ESP Fit Center 3785 is at 1.953370 3.037786 4.859929 ESP Fit Center 3786 is at 2.729115 1.251841 4.859929 ESP Fit Center 3787 is at 3.082139 1.668054 4.564112 ESP Fit Center 3788 is at 3.032581 2.092043 4.564112 ESP Fit Center 3789 is at 2.886582 2.493174 4.564112 ESP Fit Center 3790 is at 2.652010 2.849823 4.564112 ESP Fit Center 3791 is at 3.032581 1.244065 4.564112 ESP Fit Center 3792 is at -1.156368 1.668054 3.021422 ESP Fit Center 3793 is at -1.110392 1.879920 2.604666 ESP Fit Center 3794 is at .324379 3.260247 1.478732 ESP Fit Center 3795 is at 3.193973 1.866837 4.511480 ESP Fit Center 3796 is at 3.084001 2.277261 4.511480 ESP Fit Center 3797 is at 3.573125 1.866837 4.334679 ESP Fit Center 3798 is at 3.500756 2.277261 4.334679 ESP Fit Center 3799 is at 3.292378 2.638182 4.334679 ESP Fit Center 3800 is at 3.292378 1.095492 4.334679 ESP Fit Center 3801 is at 3.500756 1.456413 4.334679 ESP Fit Center 3802 is at 3.915815 1.866837 4.094725 ESP Fit Center 3803 is at 3.858608 2.283050 4.094725 ESP Fit Center 3804 is at 3.691229 2.668394 4.094725 ESP Fit Center 3805 is at 4.211632 1.866837 3.798908 ESP Fit Center 3806 is at 4.162074 2.290826 3.798908 ESP Fit Center 3807 is at 4.016075 2.691957 3.798908 ESP Fit Center 3808 is at 4.409040 2.285228 3.456218 ESP Fit Center 3809 is at 4.587632 2.293648 3.077066 ESP Fit Center 3810 is at 3.860882 2.859062 3.917240 ESP Fit Center 3811 is at 4.275941 3.269486 3.677286 ESP Fit Center 3812 is at 4.218734 2.853273 3.677286 ESP Fit Center 3813 is at 4.571758 3.269486 3.381469 ESP Fit Center 3814 is at 4.522200 3.693475 3.381469 ESP Fit Center 3815 is at 4.522200 2.845497 3.381469 ESP Fit Center 3816 is at 4.811712 3.269486 3.038779 ESP Fit Center 3817 is at 4.769166 3.687877 3.038779 ESP Fit Center 3818 is at 4.643269 2.449833 3.038779 ESP Fit Center 3819 is at 4.769166 2.851095 3.038779 ESP Fit Center 3820 is at 4.988513 3.269486 2.659627 ESP Fit Center 3821 is at 4.947758 3.696297 2.659627 ESP Fit Center 3822 is at 4.826964 4.107682 2.659627 ESP Fit Center 3823 is at 4.826964 2.431290 2.659627 ESP Fit Center 3824 is at 4.947758 2.842675 2.659627 ESP Fit Center 3825 is at 4.946078 2.438998 2.255535 ESP Fit Center 3826 is at .454888 3.898274 1.422023 ESP Fit Center 3827 is at .379227 3.481352 1.422023 ESP Fit Center 3828 is at .728694 4.302907 1.017931 ESP Fit Center 3829 is at .569343 3.904867 1.017931 ESP Fit Center 3830 is at .488201 3.483862 1.017931 ESP Fit Center 3831 is at 1.461013 4.913082 .638779 ESP Fit Center 3832 is at 1.156202 4.623338 .638779 ESP Fit Center 3833 is at .915956 4.278167 .638779 ESP Fit Center 3834 is at .750110 3.891700 .638779 ESP Fit Center 3835 is at .665454 3.479760 .638779 ESP Fit Center 3836 is at 1.005620 3.898292 .296089 ESP Fit Center 3837 is at .907176 3.482923 .296089 ESP Fit Center 3838 is at 5.200777 3.401982 2.213699 ESP Fit Center 3839 is at 5.151219 3.825971 2.213699 ESP Fit Center 3840 is at 5.005220 4.227102 2.213699 ESP Fit Center 3841 is at 4.770648 4.583751 2.213699 ESP Fit Center 3842 is at 5.005220 2.576862 2.213699 ESP Fit Center 3843 is at 5.151219 2.977993 2.213699 ESP Fit Center 3844 is at 5.440731 3.401982 1.871009 ESP Fit Center 3845 is at 5.398185 3.820373 1.871009 ESP Fit Center 3846 is at 5.272288 4.221635 1.871009 ESP Fit Center 3847 is at 5.068195 4.589341 1.871009 ESP Fit Center 3848 is at 4.794261 4.908435 1.871009 ESP Fit Center 3849 is at 4.461701 5.165856 1.871009 ESP Fit Center 3850 is at 5.272288 2.582329 1.871009 ESP Fit Center 3851 is at 5.398185 2.983591 1.871009 ESP Fit Center 3852 is at 5.617532 3.401982 1.491857 ESP Fit Center 3853 is at 5.576777 3.828793 1.491857 ESP Fit Center 3854 is at 5.455983 4.240178 1.491857 ESP Fit Center 3855 is at 5.259517 4.621269 1.491857 ESP Fit Center 3856 is at 4.994480 4.958291 1.491857 ESP Fit Center 3857 is at 5.455983 2.563786 1.491857 ESP Fit Center 3858 is at 5.576777 2.975171 1.491857 ESP Fit Center 3859 is at 5.725809 3.401982 1.087765 ESP Fit Center 3860 is at 5.687826 3.824008 1.087765 ESP Fit Center 3861 is at 5.575097 4.232470 1.087765 ESP Fit Center 3862 is at 5.391247 4.614239 1.087765 ESP Fit Center 3863 is at 5.391247 2.189725 1.087765 ESP Fit Center 3864 is at 5.575097 2.571494 1.087765 ESP Fit Center 3865 is at 5.687826 2.979956 1.087765 ESP Fit Center 3866 is at 5.762270 3.401982 .671009 ESP Fit Center 3867 is at 5.725809 3.818738 .671009 ESP Fit Center 3868 is at 5.617532 4.222830 .671009 ESP Fit Center 3869 is at 5.440731 4.601982 .671009 ESP Fit Center 3870 is at 1.819580 5.240489 .671009 ESP Fit Center 3871 is at 5.440731 2.201982 .671009 ESP Fit Center 3872 is at 5.617532 2.581134 .671009 ESP Fit Center 3873 is at 5.725809 2.985226 .671009 ESP Fit Center 3874 is at 5.725809 3.401982 .254253 ESP Fit Center 3875 is at 5.687826 3.824008 .254253 ESP Fit Center 3876 is at 5.575097 4.232470 .254253 ESP Fit Center 3877 is at 1.728917 5.110335 .254253 ESP Fit Center 3878 is at 1.450127 4.791235 .254253 ESP Fit Center 3879 is at 1.232795 4.427483 .254253 ESP Fit Center 3880 is at 1.083907 4.030770 .254253 ESP Fit Center 3881 is at 5.391247 2.189725 .254253 ESP Fit Center 3882 is at 5.575097 2.571494 .254253 ESP Fit Center 3883 is at 5.687826 2.979956 .254253 ESP Fit Center 3884 is at 5.617532 3.401982 -.149839 ESP Fit Center 3885 is at 5.576777 3.828793 -.149839 ESP Fit Center 3886 is at 5.455983 4.240178 -.149839 ESP Fit Center 3887 is at 1.589514 4.796093 -.149839 ESP Fit Center 3888 is at 1.357713 4.435403 -.149839 ESP Fit Center 3889 is at 1.198362 4.037363 -.149839 ESP Fit Center 3890 is at 1.117220 3.616358 -.149839 ESP Fit Center 3891 is at 1.117220 3.187606 -.149839 ESP Fit Center 3892 is at 5.455983 2.563786 -.149839 ESP Fit Center 3893 is at 5.576777 2.975171 -.149839 ESP Fit Center 3894 is at 5.440731 3.401982 -.528991 ESP Fit Center 3895 is at 5.398185 3.820373 -.528991 ESP Fit Center 3896 is at 5.272288 4.221635 -.528991 ESP Fit Center 3897 is at 1.785221 4.755834 -.528991 ESP Fit Center 3898 is at 1.544975 4.410663 -.528991 ESP Fit Center 3899 is at 1.379129 4.024196 -.528991 ESP Fit Center 3900 is at 1.294473 3.612256 -.528991 ESP Fit Center 3901 is at 1.294473 3.191707 -.528991 ESP Fit Center 3902 is at 1.379129 2.779767 -.528991 ESP Fit Center 3903 is at 5.272288 2.582329 -.528991 ESP Fit Center 3904 is at 5.398185 2.983591 -.528991 ESP Fit Center 3905 is at 5.200777 3.401982 -.871681 ESP Fit Center 3906 is at 5.151219 3.825971 -.871681 ESP Fit Center 3907 is at 5.005220 4.227102 -.871681 ESP Fit Center 3908 is at 2.100610 4.739263 -.871681 ESP Fit Center 3909 is at 1.826220 4.412258 -.871681 ESP Fit Center 3910 is at 1.634639 4.030788 -.871681 ESP Fit Center 3911 is at 1.536195 3.615419 -.871681 ESP Fit Center 3912 is at 1.536195 3.188544 -.871681 ESP Fit Center 3913 is at 4.847753 3.818195 -1.167498 ESP Fit Center 3914 is at 4.680375 4.203539 -1.167498 ESP Fit Center 3915 is at 2.165588 4.375555 -1.167498 ESP Fit Center 3916 is at 1.947297 4.016591 -1.167498 ESP Fit Center 3917 is at 1.833948 3.612045 -1.167498 ESP Fit Center 3918 is at 4.281523 4.173327 -1.407452 ESP Fit Center 3919 is at 2.762270 4.441212 -1.407452 ESP Fit Center 3920 is at 2.443017 4.173327 -1.407452 ESP Fit Center 3921 is at 2.459882 4.178976 4.824880 ESP Fit Center 3922 is at 2.871481 4.178976 4.786740 ESP Fit Center 3923 is at 2.665681 4.535431 4.786740 ESP Fit Center 3924 is at 2.254083 4.535431 4.786740 ESP Fit Center 3925 is at 2.048283 4.178976 4.786740 ESP Fit Center 3926 is at 2.254083 3.822521 4.786740 ESP Fit Center 3927 is at 2.665681 3.822521 4.786740 ESP Fit Center 3928 is at 3.269063 4.178976 4.673618 ESP Fit Center 3929 is at 3.160654 4.583567 4.673618 ESP Fit Center 3930 is at 2.864473 4.879747 4.673618 ESP Fit Center 3931 is at 2.459882 4.988157 4.673618 ESP Fit Center 3932 is at 2.055291 4.879747 4.673618 ESP Fit Center 3933 is at 1.759110 4.583567 4.673618 ESP Fit Center 3934 is at 1.650701 4.178976 4.673618 ESP Fit Center 3935 is at 1.759110 3.774385 4.673618 ESP Fit Center 3936 is at 2.055291 3.478204 4.673618 ESP Fit Center 3937 is at 2.459882 3.369795 4.673618 ESP Fit Center 3938 is at 2.864473 3.478204 4.673618 ESP Fit Center 3939 is at 3.160654 3.774385 4.673618 ESP Fit Center 3940 is at 3.639090 4.178976 4.489366 ESP Fit Center 3941 is at 3.559461 4.604955 4.489366 ESP Fit Center 3942 is at 3.331327 4.973403 4.489366 ESP Fit Center 3943 is at 2.985500 5.234560 4.489366 ESP Fit Center 3944 is at 2.568686 5.353154 4.489366 ESP Fit Center 3945 is at 2.137176 5.313168 4.489366 ESP Fit Center 3946 is at 1.749250 5.120004 4.489366 ESP Fit Center 3947 is at 1.457299 4.799749 4.489366 ESP Fit Center 3948 is at 1.300752 4.395655 4.489366 ESP Fit Center 3949 is at 1.300752 3.962297 4.489366 ESP Fit Center 3950 is at 2.985500 3.123392 4.489366 ESP Fit Center 3951 is at 3.331327 3.384549 4.489366 ESP Fit Center 3952 is at 3.559461 3.752997 4.489366 ESP Fit Center 3953 is at 3.968960 4.178976 4.240260 ESP Fit Center 3954 is at 3.907832 4.604132 4.240260 ESP Fit Center 3955 is at 3.729399 4.994845 4.240260 ESP Fit Center 3956 is at 3.448118 5.319461 4.240260 ESP Fit Center 3957 is at 3.086776 5.551682 4.240260 ESP Fit Center 3958 is at 2.674646 5.672694 4.240260 ESP Fit Center 3959 is at 2.245118 5.672694 4.240260 ESP Fit Center 3960 is at 1.832988 5.551682 4.240260 ESP Fit Center 3961 is at 1.471646 5.319461 4.240260 ESP Fit Center 3962 is at 1.190365 4.994845 4.240260 ESP Fit Center 3963 is at 1.011932 4.604132 4.240260 ESP Fit Center 3964 is at .950804 4.178976 4.240260 ESP Fit Center 3965 is at 3.448118 3.038491 4.240260 ESP Fit Center 3966 is at 3.729399 3.363107 4.240260 ESP Fit Center 3967 is at 3.907832 3.753819 4.240260 ESP Fit Center 3968 is at 4.247441 4.178976 3.934782 ESP Fit Center 3969 is at 4.199257 4.591215 3.934782 ESP Fit Center 3970 is at 4.057303 4.981231 3.934782 ESP Fit Center 3971 is at 3.829231 5.327996 3.934782 ESP Fit Center 3972 is at 3.527338 5.612818 3.934782 ESP Fit Center 3973 is at 3.167898 5.820341 3.934782 ESP Fit Center 3974 is at 2.770288 5.939377 3.934782 ESP Fit Center 3975 is at 2.355945 5.963510 3.934782 ESP Fit Center 3976 is at 1.947204 5.891438 3.934782 ESP Fit Center 3977 is at 1.566103 5.727047 3.934782 ESP Fit Center 3978 is at 1.233185 5.479199 3.934782 ESP Fit Center 3979 is at .966399 5.161255 3.934782 ESP Fit Center 3980 is at .780126 4.790357 3.934782 ESP Fit Center 3981 is at .684410 4.386499 3.934782 ESP Fit Center 3982 is at 4.057303 3.376721 3.934782 ESP Fit Center 3983 is at 4.199257 3.766737 3.934782 ESP Fit Center 3984 is at 4.465048 4.178976 3.583334 ESP Fit Center 3985 is at 4.421230 4.595873 3.583334 ESP Fit Center 3986 is at 4.291692 4.994550 3.583334 ESP Fit Center 3987 is at 4.082095 5.357583 3.583334 ESP Fit Center 3988 is at 3.801600 5.669104 3.583334 ESP Fit Center 3989 is at 3.462465 5.915500 3.583334 ESP Fit Center 3990 is at 3.079512 6.086002 3.583334 ESP Fit Center 3991 is at 2.669479 6.173157 3.583334 ESP Fit Center 3992 is at 2.250285 6.173157 3.583334 ESP Fit Center 3993 is at 1.840252 6.086002 3.583334 ESP Fit Center 3994 is at 1.457299 5.915500 3.583334 ESP Fit Center 3995 is at 1.118164 5.669104 3.583334 ESP Fit Center 3996 is at .837669 5.357583 3.583334 ESP Fit Center 3997 is at .628072 4.994550 3.583334 ESP Fit Center 3998 is at .498534 4.595873 3.583334 ESP Fit Center 3999 is at 4.421230 3.762078 3.583334 ESP Fit Center 4000 is at 4.614371 4.178976 3.197885 ESP Fit Center 4001 is at 4.572974 4.599296 3.197885 ESP Fit Center 4002 is at 4.450371 5.003463 3.197885 ESP Fit Center 4003 is at 4.251275 5.375946 3.197885 ESP Fit Center 4004 is at 3.983336 5.702430 3.197885 ESP Fit Center 4005 is at 3.656852 5.970368 3.197885 ESP Fit Center 4006 is at 3.284369 6.169465 3.197885 ESP Fit Center 4007 is at 2.880202 6.292067 3.197885 ESP Fit Center 4008 is at 2.459882 6.333465 3.197885 ESP Fit Center 4009 is at 2.039562 6.292067 3.197885 ESP Fit Center 4010 is at 1.635395 6.169465 3.197885 ESP Fit Center 4011 is at 1.262912 5.970368 3.197885 ESP Fit Center 4012 is at .936428 5.702430 3.197885 ESP Fit Center 4013 is at .668490 5.375946 3.197885 ESP Fit Center 4014 is at .469393 5.003463 3.197885 ESP Fit Center 4015 is at .346791 4.599296 3.197885 ESP Fit Center 4016 is at 4.650020 4.601090 2.791561 ESP Fit Center 4017 is at 4.530555 5.007948 2.791561 ESP Fit Center 4018 is at 4.336251 5.384845 2.791561 ESP Fit Center 4019 is at 4.074131 5.718159 2.791561 ESP Fit Center 4020 is at 3.753667 5.995842 2.791561 ESP Fit Center 4021 is at 3.386442 6.207860 2.791561 ESP Fit Center 4022 is at 2.985729 6.346548 2.791561 ESP Fit Center 4023 is at 2.566011 6.406894 2.791561 ESP Fit Center 4024 is at 2.142457 6.386718 2.791561 ESP Fit Center 4025 is at 1.730375 6.286748 2.791561 ESP Fit Center 4026 is at 1.344660 6.110598 2.791561 ESP Fit Center 4027 is at .999251 5.864633 2.791561 ESP Fit Center 4028 is at .706634 5.557745 2.791561 ESP Fit Center 4029 is at .477384 5.201025 2.791561 ESP Fit Center 4030 is at .319786 4.807365 2.791561 ESP Fit Center 4031 is at .239537 4.390993 2.791561 ESP Fit Center 4032 is at 4.530555 5.007948 2.378199 ESP Fit Center 4033 is at 4.336251 5.384845 2.378199 ESP Fit Center 4034 is at 4.074131 5.718159 2.378199 ESP Fit Center 4035 is at 3.753667 5.995842 2.378199 ESP Fit Center 4036 is at 3.386442 6.207860 2.378199 ESP Fit Center 4037 is at 2.985729 6.346548 2.378199 ESP Fit Center 4038 is at 2.566011 6.406894 2.378199 ESP Fit Center 4039 is at 2.142457 6.386718 2.378199 ESP Fit Center 4040 is at 1.730375 6.286748 2.378199 ESP Fit Center 4041 is at 1.344660 6.110598 2.378199 ESP Fit Center 4042 is at .999251 5.864633 2.378199 ESP Fit Center 4043 is at .706634 5.557745 2.378199 ESP Fit Center 4044 is at .477384 5.201025 2.378199 ESP Fit Center 4045 is at .319786 4.807365 2.378199 ESP Fit Center 4046 is at .239537 4.390993 2.378199 ESP Fit Center 4047 is at 4.251275 5.375946 1.971875 ESP Fit Center 4048 is at 3.983336 5.702430 1.971875 ESP Fit Center 4049 is at 3.656852 5.970368 1.971875 ESP Fit Center 4050 is at 3.284369 6.169465 1.971875 ESP Fit Center 4051 is at 2.880202 6.292067 1.971875 ESP Fit Center 4052 is at 2.459882 6.333465 1.971875 ESP Fit Center 4053 is at 2.039562 6.292067 1.971875 ESP Fit Center 4054 is at 1.635395 6.169465 1.971875 ESP Fit Center 4055 is at 1.262912 5.970368 1.971875 ESP Fit Center 4056 is at .936428 5.702430 1.971875 ESP Fit Center 4057 is at .668490 5.375946 1.971875 ESP Fit Center 4058 is at .469393 5.003463 1.971875 ESP Fit Center 4059 is at .346791 4.599296 1.971875 ESP Fit Center 4060 is at .305393 4.178976 1.971875 ESP Fit Center 4061 is at 3.462465 5.915500 1.586426 ESP Fit Center 4062 is at 3.079512 6.086002 1.586426 ESP Fit Center 4063 is at 2.669479 6.173157 1.586426 ESP Fit Center 4064 is at 2.250285 6.173157 1.586426 ESP Fit Center 4065 is at 1.840252 6.086002 1.586426 ESP Fit Center 4066 is at 1.457299 5.915500 1.586426 ESP Fit Center 4067 is at 1.118164 5.669104 1.586426 ESP Fit Center 4068 is at .837669 5.357583 1.586426 ESP Fit Center 4069 is at .628072 4.994550 1.586426 ESP Fit Center 4070 is at .498534 4.595873 1.586426 ESP Fit Center 4071 is at .454716 4.178976 1.586426 ESP Fit Center 4072 is at 2.770288 5.939377 1.234978 ESP Fit Center 4073 is at 2.355945 5.963510 1.234978 ESP Fit Center 4074 is at 1.947204 5.891438 1.234978 ESP Fit Center 4075 is at 1.566103 5.727047 1.234978 ESP Fit Center 4076 is at 1.233185 5.479199 1.234978 ESP Fit Center 4077 is at .966399 5.161255 1.234978 ESP Fit Center 4078 is at .780126 4.790357 1.234978 ESP Fit Center 4079 is at .684410 4.386499 1.234978 ESP Fit Center 4080 is at 2.245118 5.672694 .929500 ESP Fit Center 4081 is at 1.832988 5.551682 .929500 ESP Fit Center 4082 is at 1.471646 5.319461 .929500 ESP Fit Center 4083 is at 1.190365 4.994845 .929500 ESP Fit Center 4084 is at 3.555105 .769727 4.274980 ESP Fit Center 4085 is at 3.959197 .769727 4.166703 ESP Fit Center 4086 is at 3.849224 1.180151 4.166703 ESP Fit Center 4087 is at 4.338349 .769727 3.989902 ESP Fit Center 4088 is at 4.265980 1.180151 3.989902 ESP Fit Center 4089 is at 4.057602 1.541072 3.989902 ESP Fit Center 4090 is at 4.681039 .769727 3.749948 ESP Fit Center 4091 is at 4.623832 1.185940 3.749948 ESP Fit Center 4092 is at 4.456453 1.571284 3.749948 ESP Fit Center 4093 is at 4.623832 .353514 3.749948 ESP Fit Center 4094 is at 4.976856 .769727 3.454131 ESP Fit Center 4095 is at 4.927298 1.193716 3.454131 ESP Fit Center 4096 is at 4.781299 1.594847 3.454131 ESP Fit Center 4097 is at 4.546727 1.951496 3.454131 ESP Fit Center 4098 is at 4.927298 .345738 3.454131 ESP Fit Center 4099 is at 5.216810 .769727 3.111441 ESP Fit Center 4100 is at 5.174264 1.188118 3.111441 ESP Fit Center 4101 is at 5.048367 1.589380 3.111441 ESP Fit Center 4102 is at 4.844274 1.957086 3.111441 ESP Fit Center 4103 is at 5.393611 .769727 2.732289 ESP Fit Center 4104 is at 5.352856 1.196538 2.732289 ESP Fit Center 4105 is at 5.232062 1.607923 2.732289 ESP Fit Center 4106 is at 5.035596 1.989014 2.732289 ESP Fit Center 4107 is at 4.770559 2.326036 2.732289 ESP Fit Center 4108 is at 4.918262 2.324790 2.328197 ESP Fit Center 4109 is at 4.909519 -1.309601 3.925638 ESP Fit Center 4110 is at 5.321118 -1.309601 3.887498 ESP Fit Center 4111 is at 5.115318 -.953146 3.887498 ESP Fit Center 4112 is at 5.115318 -1.666056 3.887498 ESP Fit Center 4113 is at 5.718700 -1.309601 3.774376 ESP Fit Center 4114 is at 5.610291 -.905010 3.774376 ESP Fit Center 4115 is at 5.314110 -.608830 3.774376 ESP Fit Center 4116 is at 4.909519 -.500420 3.774376 ESP Fit Center 4117 is at 5.314110 -2.010373 3.774376 ESP Fit Center 4118 is at 5.610291 -1.714192 3.774376 ESP Fit Center 4119 is at 6.088727 -1.309601 3.590124 ESP Fit Center 4120 is at 6.009098 -.883622 3.590124 ESP Fit Center 4121 is at 5.780964 -.515174 3.590124 ESP Fit Center 4122 is at 5.435137 -.254017 3.590124 ESP Fit Center 4123 is at 5.018323 -.135423 3.590124 ESP Fit Center 4124 is at 5.435137 -2.365185 3.590124 ESP Fit Center 4125 is at 5.780964 -2.104028 3.590124 ESP Fit Center 4126 is at 6.009098 -1.735580 3.590124 ESP Fit Center 4127 is at 6.418597 -1.309601 3.341018 ESP Fit Center 4128 is at 6.357469 -.884445 3.341018 ESP Fit Center 4129 is at 6.179036 -.493732 3.341018 ESP Fit Center 4130 is at 5.897755 -.169116 3.341018 ESP Fit Center 4131 is at 5.536413 .063105 3.341018 ESP Fit Center 4132 is at 5.124283 .184117 3.341018 ESP Fit Center 4133 is at 5.536413 -2.682307 3.341018 ESP Fit Center 4134 is at 5.897755 -2.450086 3.341018 ESP Fit Center 4135 is at 6.179036 -2.125470 3.341018 ESP Fit Center 4136 is at 6.357469 -1.734758 3.341018 ESP Fit Center 4137 is at 6.697078 -1.309601 3.035540 ESP Fit Center 4138 is at 6.648894 -.897362 3.035540 ESP Fit Center 4139 is at 6.506940 -.507346 3.035540 ESP Fit Center 4140 is at 6.278868 -.160581 3.035540 ESP Fit Center 4141 is at 5.976975 .124241 3.035540 ESP Fit Center 4142 is at 5.617535 .331764 3.035540 ESP Fit Center 4143 is at 5.617535 -2.950966 3.035540 ESP Fit Center 4144 is at 5.976975 -2.743443 3.035540 ESP Fit Center 4145 is at 6.278868 -2.458622 3.035540 ESP Fit Center 4146 is at 6.506940 -2.111856 3.035540 ESP Fit Center 4147 is at 6.648894 -1.721841 3.035540 ESP Fit Center 4148 is at 6.914685 -1.309601 2.684092 ESP Fit Center 4149 is at 6.870867 -.892704 2.684092 ESP Fit Center 4150 is at 6.741329 -.494027 2.684092 ESP Fit Center 4151 is at 6.531732 -.130994 2.684092 ESP Fit Center 4152 is at 6.251237 .180527 2.684092 ESP Fit Center 4153 is at 5.912102 .426923 2.684092 ESP Fit Center 4154 is at 5.529149 .597425 2.684092 ESP Fit Center 4155 is at 5.529149 -3.216627 2.684092 ESP Fit Center 4156 is at 5.912102 -3.046126 2.684092 ESP Fit Center 4157 is at 6.251237 -2.799730 2.684092 ESP Fit Center 4158 is at 6.531732 -2.488208 2.684092 ESP Fit Center 4159 is at 6.741329 -2.125176 2.684092 ESP Fit Center 4160 is at 6.870867 -1.726499 2.684092 ESP Fit Center 4161 is at 7.064008 -1.309601 2.298643 ESP Fit Center 4162 is at 7.022610 -.889281 2.298643 ESP Fit Center 4163 is at 6.900008 -.485114 2.298643 ESP Fit Center 4164 is at 6.700911 -.112631 2.298643 ESP Fit Center 4165 is at 6.432973 .213853 2.298643 ESP Fit Center 4166 is at 6.106489 .481791 2.298643 ESP Fit Center 4167 is at 5.734006 .680888 2.298643 ESP Fit Center 4168 is at 7.099656 -.887487 1.892319 ESP Fit Center 4169 is at 6.980192 -.480629 1.892319 ESP Fit Center 4170 is at 6.785888 -.103732 1.892319 ESP Fit Center 4171 is at 6.523768 .229582 1.892319 ESP Fit Center 4172 is at 6.203304 .507265 1.892319 ESP Fit Center 4173 is at 1.525225 -3.726648 2.946846 ESP Fit Center 4174 is at 1.929816 -3.835057 2.946846 ESP Fit Center 4175 is at .927233 -3.646649 2.762594 ESP Fit Center 4176 is at 1.219184 -3.966904 2.762594 ESP Fit Center 4177 is at 1.607110 -4.160069 2.762594 ESP Fit Center 4178 is at 2.038619 -4.200054 2.762594 ESP Fit Center 4179 is at 2.455434 -4.081460 2.762594 ESP Fit Center 4180 is at .481866 -3.451033 2.513488 ESP Fit Center 4181 is at .660298 -3.841745 2.513488 ESP Fit Center 4182 is at .941580 -4.166361 2.513488 ESP Fit Center 4183 is at 1.302922 -4.398582 2.513488 ESP Fit Center 4184 is at 1.715052 -4.519594 2.513488 ESP Fit Center 4185 is at 2.144580 -4.519594 2.513488 ESP Fit Center 4186 is at 2.556710 -4.398582 2.513488 ESP Fit Center 4187 is at 2.918052 -4.166361 2.513488 ESP Fit Center 4188 is at .154344 -2.818353 2.208010 ESP Fit Center 4189 is at .154344 -3.233399 2.208010 ESP Fit Center 4190 is at .250060 -3.637257 2.208010 ESP Fit Center 4191 is at .436332 -4.008156 2.208010 ESP Fit Center 4192 is at .703119 -4.326099 2.208010 ESP Fit Center 4193 is at 1.036037 -4.573947 2.208010 ESP Fit Center 4194 is at 1.417138 -4.738338 2.208010 ESP Fit Center 4195 is at 1.825879 -4.810410 2.208010 ESP Fit Center 4196 is at 2.240222 -4.786278 2.208010 ESP Fit Center 4197 is at 2.637832 -4.667241 2.208010 ESP Fit Center 4198 is at .098006 -2.210302 1.856562 ESP Fit Center 4199 is at -.031532 -2.608979 1.856562 ESP Fit Center 4200 is at -.075350 -3.025876 1.856562 ESP Fit Center 4201 is at -.031532 -3.442774 1.856562 ESP Fit Center 4202 is at .098006 -3.841450 1.856562 ESP Fit Center 4203 is at .307603 -4.204483 1.856562 ESP Fit Center 4204 is at .588098 -4.516005 1.856562 ESP Fit Center 4205 is at .927233 -4.762401 1.856562 ESP Fit Center 4206 is at 1.310186 -4.932902 1.856562 ESP Fit Center 4207 is at 1.720219 -5.020057 1.856562 ESP Fit Center 4208 is at 2.139413 -5.020057 1.856562 ESP Fit Center 4209 is at 2.549446 -4.932902 1.856562 ESP Fit Center 4210 is at .138423 -1.828906 1.471113 ESP Fit Center 4211 is at -.060673 -2.201389 1.471113 ESP Fit Center 4212 is at -.183276 -2.605556 1.471113 ESP Fit Center 4213 is at -.224674 -3.025876 1.471113 ESP Fit Center 4214 is at -.183276 -3.446196 1.471113 ESP Fit Center 4215 is at -.060673 -3.850364 1.471113 ESP Fit Center 4216 is at .138423 -4.222846 1.471113 ESP Fit Center 4217 is at .406362 -4.549330 1.471113 ESP Fit Center 4218 is at .732846 -4.817269 1.471113 ESP Fit Center 4219 is at 1.105328 -5.016365 1.471113 ESP Fit Center 4220 is at 1.509496 -5.138968 1.471113 ESP Fit Center 4221 is at 1.929816 -5.180366 1.471113 ESP Fit Center 4222 is at 2.350136 -5.138968 1.471113 ESP Fit Center 4223 is at -.210280 -3.654265 1.064789 ESP Fit Center 4224 is at -.052682 -4.047925 1.064789 ESP Fit Center 4225 is at .176568 -4.404645 1.064789 ESP Fit Center 4226 is at .469185 -4.711534 1.064789 ESP Fit Center 4227 is at .814594 -4.957498 1.064789 ESP Fit Center 4228 is at 1.200309 -5.133648 1.064789 ESP Fit Center 4229 is at 1.612391 -5.233618 1.064789 ESP Fit Center 4230 is at 2.035945 -5.253794 1.064789 ESP Fit Center 4231 is at 2.455663 -5.193448 1.064789 ESP Fit Center 4232 is at -.052682 -4.047925 .651427 ESP Fit Center 4233 is at .176568 -4.404645 .651427 ESP Fit Center 4234 is at .469185 -4.711534 .651427 ESP Fit Center 4235 is at .814594 -4.957498 .651427 ESP Fit Center 4236 is at 1.200309 -5.133648 .651427 ESP Fit Center 4237 is at 1.612391 -5.233618 .651427 ESP Fit Center 4238 is at 2.035945 -5.253794 .651427 ESP Fit Center 4239 is at 2.455663 -5.193448 .651427 ESP Fit Center 4240 is at .406362 -4.549330 .245103 ESP Fit Center 4241 is at .732846 -4.817269 .245103 ESP Fit Center 4242 is at 1.105328 -5.016365 .245103 ESP Fit Center 4243 is at 1.509496 -5.138968 .245103 ESP Fit Center 4244 is at 1.929816 -5.180366 .245103 ESP Fit Center 4245 is at 2.350136 -5.138968 .245103 ESP Fit Center 4246 is at .927233 -4.762401 -.140346 ESP Fit Center 4247 is at 1.310186 -4.932902 -.140346 ESP Fit Center 4248 is at 1.720219 -5.020057 -.140346 ESP Fit Center 4249 is at 2.139413 -5.020057 -.140346 ESP Fit Center 4250 is at 2.549446 -4.932902 -.140346 ESP Fit Center 4251 is at 1.036037 -4.573947 -.491794 ESP Fit Center 4252 is at 1.417138 -4.738338 -.491794 ESP Fit Center 4253 is at 1.825879 -4.810410 -.491794 ESP Fit Center 4254 is at 2.240222 -4.786278 -.491794 ESP Fit Center 4255 is at 2.637832 -4.667241 -.491794 ESP Fit Center 4256 is at 1.715052 -4.519594 -.797272 ESP Fit Center 4257 is at 2.144580 -4.519594 -.797272 ESP Fit Center 4258 is at 2.556710 -4.398582 -.797272 ESP Fit Center 4259 is at 2.038619 -4.200054 -1.046378 ESP Fit Center 4260 is at 2.455434 -4.081460 -1.046378 ESP Fit Center 4261 is at 2.334407 -3.726648 -1.230630 ESP Fit Center 4262 is at 4.529286 -4.127136 3.048593 ESP Fit Center 4263 is at 4.940885 -4.127136 3.010453 ESP Fit Center 4264 is at 4.323486 -4.483591 3.010453 ESP Fit Center 4265 is at 4.735085 -4.483591 3.010453 ESP Fit Center 4266 is at 5.338467 -4.127136 2.897331 ESP Fit Center 4267 is at 5.230057 -3.722545 2.897331 ESP Fit Center 4268 is at 3.828514 -4.531727 2.897331 ESP Fit Center 4269 is at 4.124695 -4.827908 2.897331 ESP Fit Center 4270 is at 4.529286 -4.936317 2.897331 ESP Fit Center 4271 is at 4.933877 -4.827908 2.897331 ESP Fit Center 4272 is at 5.230057 -4.531727 2.897331 ESP Fit Center 4273 is at 5.708494 -4.127136 2.713079 ESP Fit Center 4274 is at 5.628865 -3.701157 2.713079 ESP Fit Center 4275 is at 5.400731 -3.332709 2.713079 ESP Fit Center 4276 is at 3.370156 -4.343815 2.713079 ESP Fit Center 4277 is at 3.526703 -4.747909 2.713079 ESP Fit Center 4278 is at 3.818654 -5.068164 2.713079 ESP Fit Center 4279 is at 4.206580 -5.261329 2.713079 ESP Fit Center 4280 is at 4.638089 -5.301314 2.713079 ESP Fit Center 4281 is at 5.054904 -5.182720 2.713079 ESP Fit Center 4282 is at 5.400731 -4.921563 2.713079 ESP Fit Center 4283 is at 5.628865 -4.553115 2.713079 ESP Fit Center 4284 is at 6.038364 -4.127136 2.463973 ESP Fit Center 4285 is at 5.977236 -3.701980 2.463973 ESP Fit Center 4286 is at 5.798803 -3.311267 2.463973 ESP Fit Center 4287 is at 3.081336 -4.552293 2.463973 ESP Fit Center 4288 is at 3.259768 -4.943005 2.463973 ESP Fit Center 4289 is at 3.541050 -5.267621 2.463973 ESP Fit Center 4290 is at 3.902392 -5.499842 2.463973 ESP Fit Center 4291 is at 4.314522 -5.620854 2.463973 ESP Fit Center 4292 is at 4.744050 -5.620854 2.463973 ESP Fit Center 4293 is at 5.156180 -5.499842 2.463973 ESP Fit Center 4294 is at 5.517522 -5.267621 2.463973 ESP Fit Center 4295 is at 5.798803 -4.943005 2.463973 ESP Fit Center 4296 is at 5.977236 -4.552293 2.463973 ESP Fit Center 4297 is at 6.316844 -4.127136 2.158495 ESP Fit Center 4298 is at 6.268661 -3.714897 2.158495 ESP Fit Center 4299 is at 2.849530 -4.738517 2.158495 ESP Fit Center 4300 is at 3.035802 -5.109416 2.158495 ESP Fit Center 4301 is at 3.302589 -5.427359 2.158495 ESP Fit Center 4302 is at 3.635507 -5.675207 2.158495 ESP Fit Center 4303 is at 4.016608 -5.839599 2.158495 ESP Fit Center 4304 is at 4.425349 -5.911670 2.158495 ESP Fit Center 4305 is at 4.839692 -5.887538 2.158495 ESP Fit Center 4306 is at 5.237302 -5.768501 2.158495 ESP Fit Center 4307 is at 5.596742 -5.560978 2.158495 ESP Fit Center 4308 is at 5.898635 -5.276157 2.158495 ESP Fit Center 4309 is at 6.126707 -4.929391 2.158495 ESP Fit Center 4310 is at 6.268661 -4.539376 2.158495 ESP Fit Center 4311 is at 6.534452 -4.127136 1.807047 ESP Fit Center 4312 is at 2.697476 -4.942711 1.807047 ESP Fit Center 4313 is at 2.907073 -5.305743 1.807047 ESP Fit Center 4314 is at 3.187568 -5.617265 1.807047 ESP Fit Center 4315 is at 3.526703 -5.863661 1.807047 ESP Fit Center 4316 is at 3.909656 -6.034162 1.807047 ESP Fit Center 4317 is at 4.319689 -6.121317 1.807047 ESP Fit Center 4318 is at 4.738883 -6.121317 1.807047 ESP Fit Center 4319 is at 5.148916 -6.034162 1.807047 ESP Fit Center 4320 is at 6.490634 -4.544034 1.807047 ESP Fit Center 4321 is at 2.737893 -5.324106 1.421598 ESP Fit Center 4322 is at 3.005832 -5.650590 1.421598 ESP Fit Center 4323 is at 3.332316 -5.918529 1.421598 ESP Fit Center 4324 is at 3.704798 -6.117625 1.421598 ESP Fit Center 4325 is at 4.108966 -6.240228 1.421598 ESP Fit Center 4326 is at 4.529286 -6.281626 1.421598 ESP Fit Center 4327 is at 4.949606 -6.240228 1.421598 ESP Fit Center 4328 is at 2.776038 -5.505905 1.015274 ESP Fit Center 4329 is at 3.068655 -5.812794 1.015274 ESP Fit Center 4330 is at 3.414064 -6.058758 1.015274 ESP Fit Center 4331 is at 3.799779 -6.234908 1.015274 ESP Fit Center 4332 is at 4.211861 -6.334878 1.015274 ESP Fit Center 4333 is at 4.635415 -6.355054 1.015274 ESP Fit Center 4334 is at 2.776038 -5.505905 .601912 ESP Fit Center 4335 is at 3.068655 -5.812794 .601912 ESP Fit Center 4336 is at 3.414064 -6.058758 .601912 ESP Fit Center 4337 is at 3.799779 -6.234908 .601912 ESP Fit Center 4338 is at 4.211861 -6.334878 .601912 ESP Fit Center 4339 is at 2.737893 -5.324106 .195588 ESP Fit Center 4340 is at 3.005832 -5.650590 .195588 ESP Fit Center 4341 is at 3.332316 -5.918529 .195588 ESP Fit Center 4342 is at 3.704798 -6.117625 .195588 ESP Fit Center 4343 is at 4.108966 -6.240228 .195588 ESP Fit Center 4344 is at 2.697476 -4.942711 -.189861 ESP Fit Center 4345 is at 2.907073 -5.305743 -.189861 ESP Fit Center 4346 is at 3.187568 -5.617265 -.189861 ESP Fit Center 4347 is at 3.526703 -5.863661 -.189861 ESP Fit Center 4348 is at 3.909656 -6.034162 -.189861 ESP Fit Center 4349 is at 2.849530 -4.738517 -.541309 ESP Fit Center 4350 is at 3.035802 -5.109416 -.541309 ESP Fit Center 4351 is at 3.302589 -5.427359 -.541309 ESP Fit Center 4352 is at 3.635507 -5.675207 -.541309 ESP Fit Center 4353 is at 4.016608 -5.839599 -.541309 ESP Fit Center 4354 is at 3.259768 -4.943005 -.846787 ESP Fit Center 4355 is at 3.541050 -5.267621 -.846787 ESP Fit Center 4356 is at 3.902392 -5.499842 -.846787 ESP Fit Center 4357 is at 3.818654 -5.068164 -1.095893 ESP Fit Center 4358 is at 6.907928 .211351 -2.559722 ESP Fit Center 4359 is at 6.866530 .631671 -2.559722 ESP Fit Center 4360 is at 6.743928 1.035838 -2.559722 ESP Fit Center 4361 is at 6.983884 .211351 -2.966046 ESP Fit Center 4362 is at 6.943576 .633465 -2.966046 ESP Fit Center 4363 is at 6.824112 1.040323 -2.966046 ESP Fit Center 4364 is at 6.629808 1.417220 -2.966046 ESP Fit Center 4365 is at 6.367688 1.750534 -2.966046 ESP Fit Center 4366 is at 6.943576 -.210764 -2.966046 ESP Fit Center 4367 is at 6.983884 .211351 -3.379408 ESP Fit Center 4368 is at 6.943576 .633465 -3.379408 ESP Fit Center 4369 is at 6.824112 1.040323 -3.379408 ESP Fit Center 4370 is at 6.629808 1.417220 -3.379408 ESP Fit Center 4371 is at 6.367688 1.750534 -3.379408 ESP Fit Center 4372 is at 6.047224 2.028217 -3.379408 ESP Fit Center 4373 is at 4.436014 -1.996391 -3.379408 ESP Fit Center 4374 is at 4.859568 -2.016567 -3.379408 ESP Fit Center 4375 is at 5.279286 -1.956221 -3.379408 ESP Fit Center 4376 is at 5.679999 -1.817533 -3.379408 ESP Fit Center 4377 is at 6.629808 -.994519 -3.379408 ESP Fit Center 4378 is at 6.824112 -.617622 -3.379408 ESP Fit Center 4379 is at 6.943576 -.210764 -3.379408 ESP Fit Center 4380 is at 6.907928 .211351 -3.785732 ESP Fit Center 4381 is at 6.866530 .631671 -3.785732 ESP Fit Center 4382 is at 6.743928 1.035838 -3.785732 ESP Fit Center 4383 is at 6.544831 1.408321 -3.785732 ESP Fit Center 4384 is at 6.276893 1.734805 -3.785732 ESP Fit Center 4385 is at 5.950409 2.002743 -3.785732 ESP Fit Center 4386 is at 5.577926 2.201840 -3.785732 ESP Fit Center 4387 is at 3.928952 -1.779138 -3.785732 ESP Fit Center 4388 is at 4.333119 -1.901741 -3.785732 ESP Fit Center 4389 is at 4.753439 -1.943139 -3.785732 ESP Fit Center 4390 is at 5.173759 -1.901741 -3.785732 ESP Fit Center 4391 is at 5.577926 -1.779138 -3.785732 ESP Fit Center 4392 is at 5.950409 -1.580042 -3.785732 ESP Fit Center 4393 is at 6.276893 -1.312103 -3.785732 ESP Fit Center 4394 is at 6.544831 -.985619 -3.785732 ESP Fit Center 4395 is at 6.743928 -.613137 -3.785732 ESP Fit Center 4396 is at 6.866530 -.208969 -3.785732 ESP Fit Center 4397 is at 6.758605 .211351 -4.171181 ESP Fit Center 4398 is at 6.714787 .628248 -4.171181 ESP Fit Center 4399 is at 6.585249 1.026925 -4.171181 ESP Fit Center 4400 is at 6.375652 1.389958 -4.171181 ESP Fit Center 4401 is at 6.095157 1.701479 -4.171181 ESP Fit Center 4402 is at 5.756022 1.947875 -4.171181 ESP Fit Center 4403 is at 5.373069 2.118377 -4.171181 ESP Fit Center 4404 is at 3.750856 -1.525174 -4.171181 ESP Fit Center 4405 is at 4.133809 -1.695675 -4.171181 ESP Fit Center 4406 is at 4.543842 -1.782830 -4.171181 ESP Fit Center 4407 is at 4.963036 -1.782830 -4.171181 ESP Fit Center 4408 is at 5.373069 -1.695675 -4.171181 ESP Fit Center 4409 is at 5.756022 -1.525174 -4.171181 ESP Fit Center 4410 is at 6.095157 -1.278778 -4.171181 ESP Fit Center 4411 is at 6.375652 -.967256 -4.171181 ESP Fit Center 4412 is at 6.585249 -.604224 -4.171181 ESP Fit Center 4413 is at 6.714787 -.205547 -4.171181 ESP Fit Center 4414 is at 6.540998 .211351 -4.522629 ESP Fit Center 4415 is at 6.492814 .623590 -4.522629 ESP Fit Center 4416 is at 6.350860 1.013606 -4.522629 ESP Fit Center 4417 is at 6.122788 1.360371 -4.522629 ESP Fit Center 4418 is at 5.820895 1.645193 -4.522629 ESP Fit Center 4419 is at 5.461455 1.852716 -4.522629 ESP Fit Center 4420 is at 5.063845 1.971752 -4.522629 ESP Fit Center 4421 is at 4.649502 1.995885 -4.522629 ESP Fit Center 4422 is at 3.526742 -1.088872 -4.522629 ESP Fit Center 4423 is at 3.859660 -1.336720 -4.522629 ESP Fit Center 4424 is at 4.240761 -1.501112 -4.522629 ESP Fit Center 4425 is at 4.649502 -1.573183 -4.522629 ESP Fit Center 4426 is at 5.063845 -1.549051 -4.522629 ESP Fit Center 4427 is at 5.461455 -1.430014 -4.522629 ESP Fit Center 4428 is at 5.820895 -1.222491 -4.522629 ESP Fit Center 4429 is at 6.122788 -.937670 -4.522629 ESP Fit Center 4430 is at 6.350860 -.590904 -4.522629 ESP Fit Center 4431 is at 6.492814 -.200889 -4.522629 ESP Fit Center 4432 is at 6.262517 .211351 -4.828107 ESP Fit Center 4433 is at 6.201389 .636507 -4.828107 ESP Fit Center 4434 is at 6.022956 1.027220 -4.828107 ESP Fit Center 4435 is at 5.741675 1.351836 -4.828107 ESP Fit Center 4436 is at 5.380333 1.584057 -4.828107 ESP Fit Center 4437 is at 4.968203 1.705069 -4.828107 ESP Fit Center 4438 is at 4.538675 1.705069 -4.828107 ESP Fit Center 4439 is at 4.126545 1.584057 -4.828107 ESP Fit Center 4440 is at 3.305489 -.213806 -4.828107 ESP Fit Center 4441 is at 3.483922 -.604518 -4.828107 ESP Fit Center 4442 is at 3.765203 -.929134 -4.828107 ESP Fit Center 4443 is at 4.126545 -1.161355 -4.828107 ESP Fit Center 4444 is at 4.538675 -1.282367 -4.828107 ESP Fit Center 4445 is at 4.968203 -1.282367 -4.828107 ESP Fit Center 4446 is at 5.380333 -1.161355 -4.828107 ESP Fit Center 4447 is at 5.741675 -.929134 -4.828107 ESP Fit Center 4448 is at 6.022956 -.604518 -4.828107 ESP Fit Center 4449 is at 6.201389 -.213806 -4.828107 ESP Fit Center 4450 is at 5.932647 .211351 -5.077213 ESP Fit Center 4451 is at 5.853018 .637330 -5.077213 ESP Fit Center 4452 is at 5.624884 1.005778 -5.077213 ESP Fit Center 4453 is at 5.279057 1.266935 -5.077213 ESP Fit Center 4454 is at 4.862243 1.385529 -5.077213 ESP Fit Center 4455 is at 4.430733 1.345543 -5.077213 ESP Fit Center 4456 is at 4.042807 1.152379 -5.077213 ESP Fit Center 4457 is at 3.750856 .832124 -5.077213 ESP Fit Center 4458 is at 3.594309 .428030 -5.077213 ESP Fit Center 4459 is at 3.594309 -.005328 -5.077213 ESP Fit Center 4460 is at 3.750856 -.409422 -5.077213 ESP Fit Center 4461 is at 4.042807 -.729677 -5.077213 ESP Fit Center 4462 is at 4.430733 -.922842 -5.077213 ESP Fit Center 4463 is at 4.862243 -.962827 -5.077213 ESP Fit Center 4464 is at 5.279057 -.844233 -5.077213 ESP Fit Center 4465 is at 5.624884 -.583076 -5.077213 ESP Fit Center 4466 is at 5.853018 -.214628 -5.077213 ESP Fit Center 4467 is at 5.562620 .211351 -5.261465 ESP Fit Center 4468 is at 5.454211 .615942 -5.261465 ESP Fit Center 4469 is at 5.158030 .912122 -5.261465 ESP Fit Center 4470 is at 4.753439 1.020532 -5.261465 ESP Fit Center 4471 is at 4.348848 .912122 -5.261465 ESP Fit Center 4472 is at 4.052667 .615942 -5.261465 ESP Fit Center 4473 is at 3.944258 .211351 -5.261465 ESP Fit Center 4474 is at 4.052667 -.193240 -5.261465 ESP Fit Center 4475 is at 4.348848 -.489421 -5.261465 ESP Fit Center 4476 is at 4.753439 -.597830 -5.261465 ESP Fit Center 4477 is at 5.158030 -.489421 -5.261465 ESP Fit Center 4478 is at 5.454211 -.193240 -5.261465 ESP Fit Center 4479 is at 5.165038 .211351 -5.374587 ESP Fit Center 4480 is at 4.959238 .567806 -5.374587 ESP Fit Center 4481 is at 4.547639 .567806 -5.374587 ESP Fit Center 4482 is at 4.341840 .211351 -5.374587 ESP Fit Center 4483 is at 4.547639 -.145104 -5.374587 ESP Fit Center 4484 is at 4.959238 -.145104 -5.374587 ESP Fit Center 4485 is at 4.753439 .211351 -5.412727 ESP Fit Center 4486 is at 5.318085 2.827910 -.791631 ESP Fit Center 4487 is at 5.476764 2.836823 -1.177080 ESP Fit Center 4488 is at 5.277667 3.209306 -1.177080 ESP Fit Center 4489 is at 5.009729 3.535790 -1.177080 ESP Fit Center 4490 is at 1.694882 3.209306 -1.177080 ESP Fit Center 4491 is at 1.495786 2.836823 -1.177080 ESP Fit Center 4492 is at 5.362644 3.218205 -1.583404 ESP Fit Center 4493 is at 5.100524 3.551519 -1.583404 ESP Fit Center 4494 is at 4.780060 3.829202 -1.583404 ESP Fit Center 4495 is at 4.412835 4.041220 -1.583404 ESP Fit Center 4496 is at 4.012122 4.179908 -1.583404 ESP Fit Center 4497 is at 3.592404 4.240254 -1.583404 ESP Fit Center 4498 is at 3.168850 4.220078 -1.583404 ESP Fit Center 4499 is at 2.756768 4.120108 -1.583404 ESP Fit Center 4500 is at 2.371053 3.943958 -1.583404 ESP Fit Center 4501 is at 2.025644 3.697993 -1.583404 ESP Fit Center 4502 is at 1.733027 3.391105 -1.583404 ESP Fit Center 4503 is at 1.503777 3.034385 -1.583404 ESP Fit Center 4504 is at 1.346179 2.640725 -1.583404 ESP Fit Center 4505 is at 5.362644 3.218205 -1.996766 ESP Fit Center 4506 is at 5.100524 3.551519 -1.996766 ESP Fit Center 4507 is at 4.780060 3.829202 -1.996766 ESP Fit Center 4508 is at 4.412835 4.041220 -1.996766 ESP Fit Center 4509 is at 4.012122 4.179908 -1.996766 ESP Fit Center 4510 is at 3.592404 4.240254 -1.996766 ESP Fit Center 4511 is at 3.168850 4.220078 -1.996766 ESP Fit Center 4512 is at 2.756768 4.120108 -1.996766 ESP Fit Center 4513 is at 2.371053 3.943958 -1.996766 ESP Fit Center 4514 is at 2.025644 3.697993 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is at .251522 2.598208 -2.308618 ESP Fit Center 4571 is at 1.071953 2.399174 -2.721980 ESP Fit Center 4572 is at .671240 2.537862 -2.721980 ESP Fit Center 4573 is at .251522 2.598208 -2.721980 ESP Fit Center 4574 is at 1.342363 2.161682 -3.128304 ESP Fit Center 4575 is at .969880 2.360779 -3.128304 ESP Fit Center 4576 is at .565713 2.483381 -3.128304 ESP Fit Center 4577 is at .145393 2.524779 -3.128304 ESP Fit Center 4578 is at 1.487111 1.860419 -3.513753 ESP Fit Center 4579 is at 1.147976 2.106814 -3.513753 ESP Fit Center 4580 is at .765023 2.277316 -3.513753 ESP Fit Center 4581 is at .354990 2.364471 -3.513753 ESP Fit Center 4582 is at -.064204 2.364471 -3.513753 ESP Fit Center 4583 is at 1.514742 1.519310 -3.865201 ESP Fit Center 4584 is at 1.212849 1.804132 -3.865201 ESP Fit Center 4585 is at .853409 2.011655 -3.865201 ESP Fit Center 4586 is at .455799 2.130691 -3.865201 ESP Fit Center 4587 is at .041456 2.154824 -3.865201 ESP Fit Center 4588 is at -.367285 2.082752 -3.865201 ESP 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Fit Center 4663 is at -5.302805 -.062026 2.275268 ESP Fit Center 4664 is at -5.412778 -.472450 2.275268 ESP Fit Center 4665 is at -4.923653 -.062026 2.098467 ESP Fit Center 4666 is at -4.996022 .348398 2.098467 ESP Fit Center 4667 is at -4.996022 -.472450 2.098467 ESP Fit Center 4668 is at -4.580963 -.062026 1.858513 ESP Fit Center 4669 is at -4.805549 -.863583 1.858513 ESP Fit Center 4670 is at -4.638170 -.478239 1.858513 ESP Fit Center 4671 is at -4.480703 -.887146 1.562696 ESP Fit Center 4672 is at -4.334704 -.486015 1.562696 ESP Fit Center 4673 is at -8.191450 -.272300 -1.179994 ESP Fit Center 4674 is at -7.949728 .151412 -1.522684 ESP Fit Center 4675 is at -7.949728 -.275464 -1.522684 ESP Fit Center 4676 is at -7.538626 .552584 -1.818501 ESP Fit Center 4677 is at -7.651975 .148037 -1.818501 ESP Fit Center 4678 is at -7.651975 -.272089 -1.818501 ESP Fit Center 4679 is at -6.723653 .977205 -2.058455 ESP Fit Center 4680 is at -7.042906 .709319 -2.058455 ESP Fit Center 4681 is at 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ESP Fit Center 4700 is at -5.502795 1.759485 2.353259 ESP Fit Center 4701 is at -5.767931 2.085382 2.353259 ESP Fit Center 4702 is at -6.111161 2.327660 2.353259 ESP Fit Center 4703 is at -6.507029 2.468352 2.353259 ESP Fit Center 4704 is at -6.926176 2.497022 2.353259 ESP Fit Center 4705 is at -5.502795 .156371 2.353259 ESP Fit Center 4706 is at -5.335416 .541715 2.353259 ESP Fit Center 4707 is at -5.412521 2.139697 2.057442 ESP Fit Center 4708 is at -5.723019 2.432637 2.057442 ESP Fit Center 4709 is at -6.092704 2.646075 2.057442 ESP Fit Center 4710 is at -6.501646 2.768504 2.057442 ESP Fit Center 4711 is at -6.927799 2.793324 2.057442 ESP Fit Center 4712 is at -5.388908 2.464382 1.714752 ESP Fit Center 4713 is at -5.721468 2.721802 1.714752 ESP Fit Center 4714 is at -6.099039 2.907009 1.714752 ESP Fit Center 4715 is at -6.506162 3.012421 1.714752 ESP Fit Center 4716 is at -6.926171 3.033721 1.714752 ESP Fit Center 4717 is at -7.341871 2.970039 1.714752 ESP Fit Center 4718 is at 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Center 4737 is at -8.020899 3.036389 .514752 ESP Fit Center 4738 is at -5.700892 3.039250 .097996 ESP Fit Center 4739 is at -6.090525 3.205787 .097996 ESP Fit Center 4740 is at -6.503634 3.300076 .097996 ESP Fit Center 4741 is at -6.926939 3.319087 .097996 ESP Fit Center 4742 is at -7.346836 3.262208 .097996 ESP Fit Center 4743 is at -7.749829 3.131267 .097996 ESP Fit Center 4744 is at -8.122965 2.930474 .097996 ESP Fit Center 4745 is at -8.454252 2.666282 .097996 ESP Fit Center 4746 is at -6.289201 3.149618 -.306096 ESP Fit Center 4747 is at -6.713589 3.210636 -.306096 ESP Fit Center 4748 is at -7.141856 3.190235 -.306096 ESP Fit Center 4749 is at -7.558523 3.089153 -.306096 ESP Fit Center 4750 is at -7.948530 2.911043 -.306096 ESP Fit Center 4751 is at -8.297782 2.662342 -.306096 ESP Fit Center 4752 is at -8.593655 2.352039 -.306096 ESP Fit Center 4753 is at -6.506162 3.012421 -.685248 ESP Fit Center 4754 is at -6.926171 3.033721 -.685248 ESP Fit Center 4755 is at -7.341871 2.970039 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Center 4774 is at -7.029277 2.139697 -1.563709 ESP Fit Center 4775 is at -7.420899 1.997159 -1.563709 ESP Fit Center 4776 is at -7.740152 1.729273 -1.563709 ESP Fit Center 4777 is at -7.948530 1.368352 -1.563709 ESP Fit Center 4778 is at -8.020899 .957928 -1.563709 ESP Fit Center 4779 is at -7.948530 .547504 -1.563709 ESP Fit Center 4780 is at -7.231323 1.668804 -1.740510 ESP Fit Center 4781 is at -7.531775 1.368352 -1.740510 ESP Fit Center 4782 is at -7.641747 .957928 -1.740510 ESP Fit Center 4783 is at -7.029277 1.318849 -1.848787 ESP Fit Center 4784 is at -7.237655 .957928 -1.848787 ESP Fit Center 4785 is at -7.889430 .554911 3.557981 ESP Fit Center 4786 is at -7.472674 .554911 3.521520 ESP Fit Center 4787 is at -7.681052 .915832 3.521520 ESP Fit Center 4788 is at -8.097808 .915832 3.521520 ESP Fit Center 4789 is at -8.306186 .554911 3.521520 ESP Fit Center 4790 is at -7.681052 .193990 3.521520 ESP Fit Center 4791 is at -7.068582 .554911 3.413243 ESP Fit Center 4792 is at -7.178555 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3.171856 -.853309 ESP Fit Center 5506 is at .333439 3.483378 -.853309 ESP Fit Center 5507 is at -.005696 3.729773 -.853309 ESP Fit Center 5508 is at -.388649 3.900275 -.853309 ESP Fit Center 5509 is at -.798682 3.987430 -.853309 ESP Fit Center 5510 is at .361070 3.142269 -1.204757 ESP Fit Center 5511 is at .059177 3.427091 -1.204757 ESP Fit Center 5512 is at -.300263 3.634614 -1.204757 ESP Fit Center 5513 is at -.697873 3.753651 -1.204757 ESP Fit Center 5514 is at .261238 2.809118 -1.510235 ESP Fit Center 5515 is at -.020043 3.133734 -1.510235 ESP Fit Center 5516 is at -.381385 3.365955 -1.510235 ESP Fit Center 5517 is at -.337644 -.524962 1.151414 ESP Fit Center 5518 is at -.070858 -.842905 1.151414 ESP Fit Center 5519 is at -.464082 -1.995450 .605098 ESP Fit Center 5520 is at -.814030 -1.778771 .355992 ESP Fit Center 5521 is at -.752902 -2.203928 .355992 ESP Fit Center 5522 is at -1.080424 -1.986294 .050514 ESP Fit Center 5523 is at -.984708 -2.390152 .050514 ESP Fit Center 5524 is 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-1.912393 ESP Fit Center 5561 is at 1.892018 -3.570164 -1.912393 ESP Fit Center 5562 is at 2.218502 -3.302225 -1.912393 ESP Fit Center 5563 is at 2.486440 -2.975741 -1.912393 ESP Fit Center 5564 is at -.927165 -2.957378 -2.297842 ESP Fit Center 5565 is at -.646670 -3.268900 -2.297842 ESP Fit Center 5566 is at -.307535 -3.515296 -2.297842 ESP Fit Center 5567 is at .075418 -3.685797 -2.297842 ESP Fit Center 5568 is at .485451 -3.772952 -2.297842 ESP Fit Center 5569 is at .904645 -3.772952 -2.297842 ESP Fit Center 5570 is at 1.314678 -3.685797 -2.297842 ESP Fit Center 5571 is at 1.697631 -3.515296 -2.297842 ESP Fit Center 5572 is at 2.036766 -3.268900 -2.297842 ESP Fit Center 5573 is at 2.317261 -2.957378 -2.297842 ESP Fit Center 5574 is at -.798435 -2.761051 -2.649290 ESP Fit Center 5575 is at -.531649 -3.078994 -2.649290 ESP Fit Center 5576 is at -.198731 -3.326842 -2.649290 ESP Fit Center 5577 is at .182370 -3.491233 -2.649290 ESP Fit Center 5578 is at .591111 -3.563305 -2.649290 ESP Fit Center 5579 is at 1.005454 -3.539173 -2.649290 ESP Fit Center 5580 is at 1.403064 -3.420136 -2.649290 ESP Fit Center 5581 is at 1.762504 -3.212613 -2.649290 ESP Fit Center 5582 is at 2.064397 -2.927792 -2.649290 ESP Fit Center 5583 is at -.574469 -2.594640 -2.954768 ESP Fit Center 5584 is at -.293188 -2.919256 -2.954768 ESP Fit Center 5585 is at .068154 -3.151477 -2.954768 ESP Fit Center 5586 is at .480284 -3.272489 -2.954768 ESP Fit Center 5587 is at .909812 -3.272489 -2.954768 ESP Fit Center 5588 is at 1.321942 -3.151477 -2.954768 ESP Fit Center 5589 is at 1.683284 -2.919256 -2.954768 ESP Fit Center 5590 is at -.307535 -2.399544 -3.203874 ESP Fit Center 5591 is at -.015584 -2.719799 -3.203874 ESP Fit Center 5592 is at .372342 -2.912964 -3.203874 ESP Fit Center 5593 is at .803852 -2.952949 -3.203874 ESP Fit Center 5594 is at 1.220666 -2.834355 -3.203874 ESP Fit Center 5595 is at -.005724 -2.183362 -3.388126 ESP Fit Center 5596 is at .290457 -2.479543 -3.388126 ESP Fit Center 5597 is at .695048 -2.587952 -3.388126 ESP Fit Center 5598 is at 6.857136 -.177826 1.612122 ESP Fit Center 5599 is at 6.643516 .192175 1.612122 ESP Fit Center 5600 is at 7.262953 -.177826 1.470120 ESP Fit Center 5601 is at 7.151344 .238702 1.470120 ESP Fit Center 5602 is at 6.846424 .543622 1.470120 ESP Fit Center 5603 is at 6.429896 .655231 1.470120 ESP Fit Center 5604 is at 7.151344 -.594355 1.470120 ESP Fit Center 5605 is at 7.626996 -.177826 1.241376 ESP Fit Center 5606 is at 7.554802 .231606 1.241376 ESP Fit Center 5607 is at 7.346928 .591655 1.241376 ESP Fit Center 5608 is at 7.028446 .858893 1.241376 ESP Fit Center 5609 is at 6.637770 1.001088 1.241376 ESP Fit Center 5610 is at 6.222022 1.001088 1.241376 ESP Fit Center 5611 is at 7.554802 -.587259 1.241376 ESP Fit Center 5612 is at 7.931012 -.177826 .937360 ESP Fit Center 5613 is at 7.870207 .245087 .937360 ESP Fit Center 5614 is at 7.692715 .633739 .937360 ESP Fit Center 5615 is at 7.412918 .956642 .937360 ESP Fit Center 5616 is at 7.053482 1.187637 .937360 ESP Fit Center 5617 is at 6.643527 1.308011 .937360 ESP Fit Center 5618 is at 6.216265 1.308011 .937360 ESP Fit Center 5619 is at 7.692715 -.989391 .937360 ESP Fit Center 5620 is at 7.870207 -.600740 .937360 ESP Fit Center 5621 is at 8.159756 -.177826 .573317 ESP Fit Center 5622 is at 8.109490 .236156 .573317 ESP Fit Center 5623 is at 7.961611 .626080 .573317 ESP Fit Center 5624 is at 7.724715 .969283 .573317 ESP Fit Center 5625 is at 7.412569 1.245821 .573317 ESP Fit Center 5626 is at 7.043313 1.439621 .573317 ESP Fit Center 5627 is at 6.638408 1.539421 .573317 ESP Fit Center 5628 is at 6.221384 1.539421 .573317 ESP Fit Center 5629 is at 5.816479 1.439621 .573317 ESP Fit Center 5630 is at 7.961611 -.981732 .573317 ESP Fit Center 5631 is at 8.109490 -.591809 .573317 ESP Fit Center 5632 is at 8.301758 -.177826 .167500 ESP Fit Center 5633 is at 8.254826 .238702 .167500 ESP Fit Center 5634 is at 8.116385 .634344 .167500 ESP Fit Center 5635 is at 7.893376 .989260 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-.259740 ESP Fit Center 5655 is at 8.305007 -.590569 -.259740 ESP Fit Center 5656 is at 8.301758 -.177826 -.686980 ESP Fit Center 5657 is at 8.254826 .238702 -.686980 ESP Fit Center 5658 is at 8.116385 .634344 -.686980 ESP Fit Center 5659 is at 7.893376 .989260 -.686980 ESP Fit Center 5660 is at 7.596983 1.285654 -.686980 ESP Fit Center 5661 is at 7.242066 1.508663 -.686980 ESP Fit Center 5662 is at 6.846424 1.647104 -.686980 ESP Fit Center 5663 is at 6.429896 1.694035 -.686980 ESP Fit Center 5664 is at 8.116385 -.989996 -.686980 ESP Fit Center 5665 is at 8.254826 -.594355 -.686980 ESP Fit Center 5666 is at 8.159756 -.177826 -1.092797 ESP Fit Center 5667 is at 8.109490 .236156 -1.092797 ESP Fit Center 5668 is at 7.961611 .626080 -1.092797 ESP Fit Center 5669 is at 7.724715 .969283 -1.092797 ESP Fit Center 5670 is at 7.412569 1.245821 -1.092797 ESP Fit Center 5671 is at 7.043313 1.439621 -1.092797 ESP Fit Center 5672 is at 6.638408 1.539421 -1.092797 ESP Fit Center 5673 is at 7.961611 -.981732 -1.092797 ESP Fit Center 5674 is at 8.109490 -.591809 -1.092797 ESP Fit Center 5675 is at 7.931012 -.177826 -1.456840 ESP Fit Center 5676 is at 7.870207 .245087 -1.456840 ESP Fit Center 5677 is at 7.692715 .633739 -1.456840 ESP Fit Center 5678 is at 7.412918 .956642 -1.456840 ESP Fit Center 5679 is at 7.053482 1.187637 -1.456840 ESP Fit Center 5680 is at 6.643527 1.308011 -1.456840 ESP Fit Center 5681 is at 7.870207 -.600740 -1.456840 ESP Fit Center 5682 is at 7.626996 -.177826 -1.760857 ESP Fit Center 5683 is at 7.554802 .231606 -1.760857 ESP Fit Center 5684 is at 7.346928 .591655 -1.760857 ESP Fit Center 5685 is at 7.028446 .858893 -1.760857 ESP Fit Center 5686 is at 7.011946 -2.682765 -1.116921 ESP Fit Center 5687 is at 7.308339 -2.386372 -1.116921 ESP Fit Center 5688 is at 7.764859 -1.219285 -1.544161 ESP Fit Center 5689 is at 6.358513 -3.069301 -1.544161 ESP Fit Center 5690 is at 6.744203 -2.915628 -1.544161 ESP Fit Center 5691 is at 7.087841 -2.682636 -1.544161 ESP Fit Center 5692 is at 7.373358 -2.381220 -1.544161 ESP Fit Center 5693 is at 7.587404 -2.025472 -1.544161 ESP Fit Center 5694 is at 7.719970 -1.632028 -1.544161 ESP Fit Center 5695 is at 7.716721 -1.219285 -1.971401 ESP Fit Center 5696 is at 7.669789 -.802757 -1.971401 ESP Fit Center 5697 is at 7.531348 -.407115 -1.971401 ESP Fit Center 5698 is at 6.261387 -3.044215 -1.971401 ESP Fit Center 5699 is at 6.657029 -2.905774 -1.971401 ESP Fit Center 5700 is at 7.011946 -2.682765 -1.971401 ESP Fit Center 5701 is at 7.308339 -2.386372 -1.971401 ESP Fit Center 5702 is at 7.531348 -2.031455 -1.971401 ESP Fit Center 5703 is at 7.669789 -1.635814 -1.971401 ESP Fit Center 5704 is at 7.574719 -1.219285 -2.377218 ESP Fit Center 5705 is at 7.524453 -.805303 -2.377218 ESP Fit Center 5706 is at 7.376574 -.415379 -2.377218 ESP Fit Center 5707 is at 7.139678 -.072176 -2.377218 ESP Fit Center 5708 is at 5.636347 -2.936533 -2.377218 ESP Fit Center 5709 is at 6.053371 -2.936533 -2.377218 ESP Fit Center 5710 is at 6.458276 -2.836733 -2.377218 ESP Fit Center 5711 is at 6.827532 -2.642932 -2.377218 ESP Fit Center 5712 is at 7.139678 -2.366395 -2.377218 ESP Fit Center 5713 is at 7.376574 -2.023191 -2.377218 ESP Fit Center 5714 is at 7.524453 -1.633268 -2.377218 ESP Fit Center 5715 is at 7.345975 -1.219285 -2.741261 ESP Fit Center 5716 is at 7.285170 -.796372 -2.741261 ESP Fit Center 5717 is at 7.107678 -.407720 -2.741261 ESP Fit Center 5718 is at 4.861837 -2.353753 -2.741261 ESP Fit Center 5719 is at 5.221273 -2.584749 -2.741261 ESP Fit Center 5720 is at 5.631228 -2.705122 -2.741261 ESP Fit Center 5721 is at 6.058490 -2.705122 -2.741261 ESP Fit Center 5722 is at 6.468445 -2.584749 -2.741261 ESP Fit Center 5723 is at 6.827881 -2.353753 -2.741261 ESP Fit Center 5724 is at 7.107678 -2.030850 -2.741261 ESP Fit Center 5725 is at 7.285170 -1.642199 -2.741261 ESP Fit Center 5726 is at 7.041959 -1.219285 -3.045278 ESP Fit Center 5727 is at 6.969765 -.809853 -3.045278 ESP Fit Center 5728 is at 5.246309 -2.256005 -3.045278 ESP Fit Center 5729 is at 5.636985 -2.398199 -3.045278 ESP Fit Center 5730 is at 6.052733 -2.398199 -3.045278 ESP Fit Center 5731 is at 6.443409 -2.256005 -3.045278 ESP Fit Center 5732 is at 6.761891 -1.988766 -3.045278 ESP Fit Center 5733 is at 6.969765 -1.628718 -3.045278 ESP Fit Center 5734 is at 6.677916 -1.219285 -3.274021 ESP Fit Center 5735 is at 5.428331 -1.940734 -3.274021 ESP Fit Center 5736 is at 5.844859 -2.052342 -3.274021 ESP Fit Center 5737 is at 6.261387 -1.940734 -3.274021 ESP Fit Center 5738 is at 6.566307 -1.635814 -3.274021 ESP Fit Center 5739 is at 6.739609 -2.364889 2.528642 ESP Fit Center 5740 is at 6.525989 -2.734890 2.528642 ESP Fit Center 5741 is at 7.145426 -2.364889 2.386640 ESP Fit Center 5742 is at 7.033817 -1.948361 2.386640 ESP Fit Center 5743 is at 6.312369 -3.197946 2.386640 ESP Fit Center 5744 is at 6.728897 -3.086338 2.386640 ESP Fit Center 5745 is at 7.033817 -2.781418 2.386640 ESP Fit Center 5746 is at 7.509469 -2.364889 2.157896 ESP Fit Center 5747 is at 7.437275 -1.955457 2.157896 ESP Fit Center 5748 is at 7.229401 -1.595408 2.157896 ESP Fit Center 5749 is at 6.520243 -3.543803 2.157896 ESP Fit Center 5750 is at 6.910919 -3.401609 2.157896 ESP Fit Center 5751 is at 7.229401 -3.134371 2.157896 ESP Fit Center 5752 is at 7.437275 -2.774322 2.157896 ESP Fit Center 5753 is at 7.813485 -2.364889 1.853880 ESP Fit Center 5754 is at 7.752680 -1.941976 1.853880 ESP Fit Center 5755 is at 7.575188 -1.553324 1.853880 ESP Fit Center 5756 is at 7.295391 -1.230421 1.853880 ESP Fit Center 5757 is at 6.526000 -3.850726 1.853880 ESP Fit Center 5758 is at 6.935955 -3.730353 1.853880 ESP Fit Center 5759 is at 7.295391 -3.499357 1.853880 ESP Fit Center 5760 is at 7.575188 -3.176454 1.853880 ESP Fit Center 5761 is at 7.752680 -2.787803 1.853880 ESP Fit Center 5762 is at 8.042229 -2.364889 1.489837 ESP Fit Center 5763 is at 7.991963 -1.950907 1.489837 ESP Fit Center 5764 is at 7.844084 -1.560983 1.489837 ESP Fit Center 5765 is at 7.607188 -1.217780 1.489837 ESP Fit Center 5766 is at 6.925786 -3.982337 1.489837 ESP Fit Center 5767 is at 7.295042 -3.788536 1.489837 ESP Fit Center 5768 is at 7.607188 -3.511999 1.489837 ESP Fit Center 5769 is at 7.844084 -3.168795 1.489837 ESP Fit Center 5770 is at 7.991963 -2.778872 1.489837 ESP Fit Center 5771 is at 8.184230 -2.364889 1.084020 ESP Fit Center 5772 is at 8.137299 -1.948361 1.084020 ESP Fit Center 5773 is at 7.998858 -1.552719 1.084020 ESP Fit Center 5774 is at 7.775849 -1.197803 1.084020 ESP Fit Center 5775 is at 7.124539 -4.051378 1.084020 ESP Fit Center 5776 is at 7.479456 -3.828370 1.084020 ESP Fit Center 5777 is at 7.775849 -3.531976 1.084020 ESP Fit Center 5778 is at 7.998858 -3.177059 1.084020 ESP Fit Center 5779 is at 8.137299 -2.781418 1.084020 ESP Fit Center 5780 is at 8.232369 -2.364889 .656780 ESP Fit Center 5781 is at 8.187480 -1.952146 .656780 ESP Fit Center 5782 is at 8.054914 -1.558702 .656780 ESP Fit Center 5783 is at 7.840868 -1.202955 .656780 ESP Fit Center 5784 is at 7.211713 -4.061232 .656780 ESP Fit Center 5785 is at 7.555351 -3.828240 .656780 ESP Fit Center 5786 is at 7.840868 -3.526824 .656780 ESP Fit Center 5787 is at 8.054914 -3.171076 .656780 ESP Fit Center 5788 is at 8.187480 -2.777632 .656780 ESP Fit Center 5789 is at 8.184230 -2.364889 .229540 ESP Fit Center 5790 is at 8.137299 -1.948361 .229540 ESP Fit Center 5791 is at 7.998858 -1.552719 .229540 ESP Fit Center 5792 is at 7.124539 -4.051378 .229540 ESP Fit Center 5793 is at 7.479456 -3.828370 .229540 ESP Fit Center 5794 is at 7.775849 -3.531976 .229540 ESP Fit Center 5795 is at 7.998858 -3.177059 .229540 ESP Fit Center 5796 is at 8.137299 -2.781418 .229540 ESP Fit Center 5797 is at 8.042229 -2.364889 -.176277 ESP Fit Center 5798 is at 7.991963 -1.950907 -.176277 ESP Fit Center 5799 is at 7.844084 -1.560983 -.176277 ESP Fit Center 5800 is at 7.295042 -3.788536 -.176277 ESP Fit Center 5801 is at 7.607188 -3.511999 -.176277 ESP Fit Center 5802 is at 7.844084 -3.168795 -.176277 ESP Fit Center 5803 is at 7.991963 -2.778872 -.176277 ESP Fit Center 5804 is at 7.813485 -2.364889 -.540320 ESP Fit Center 5805 is at 7.752680 -1.941976 -.540320 ESP Fit Center 5806 is at 6.935955 -3.730353 -.540320 ESP Fit Center 5807 is at 7.295391 -3.499357 -.540320 ESP Fit Center 5808 is at 7.575188 -3.176454 -.540320 ESP Fit Center 5809 is at 7.752680 -2.787803 -.540320 ESP Fit Center 5810 is at 7.509469 -2.364889 -.844337 ESP Fit Center 5811 is at 6.910919 -3.401609 -.844337 ESP Fit Center 5812 is at 7.229401 -3.134371 -.844337 ESP Fit Center 5813 is at 7.437275 -2.774322 -.844337 ESP Fit Center 5814 is at 7.033817 -2.781418 -1.073080 ESP Fit Center 5815 is at 2.395698 -3.532281 -1.391763 ESP Fit Center 5816 is at 2.534139 -3.927922 -1.391763 ESP Fit Center 5817 is at 2.757148 -4.282839 -1.391763 ESP Fit Center 5818 is at 3.053541 -4.579232 -1.391763 ESP Fit Center 5819 is at 3.408458 -4.802241 -1.391763 ESP Fit Center 5820 is at 3.804099 -4.940682 -1.391763 ESP Fit Center 5821 is at 4.220628 -4.987614 -1.391763 ESP Fit Center 5822 is at 5.907117 -3.927922 -1.391763 ESP Fit Center 5823 is at 2.490768 -3.115752 -1.797580 ESP Fit Center 5824 is at 2.541034 -3.529735 -1.797580 ESP Fit Center 5825 is at 2.688913 -3.919658 -1.797580 ESP Fit Center 5826 is at 2.925809 -4.262862 -1.797580 ESP Fit Center 5827 is at 3.237955 -4.539399 -1.797580 ESP Fit Center 5828 is at 3.607211 -4.733200 -1.797580 ESP Fit Center 5829 is at 4.012116 -4.833000 -1.797580 ESP Fit Center 5830 is at 4.429139 -4.833000 -1.797580 ESP Fit Center 5831 is at 4.834045 -4.733200 -1.797580 ESP Fit Center 5832 is at 5.203301 -4.539399 -1.797580 ESP Fit Center 5833 is at 5.515447 -4.262862 -1.797580 ESP Fit Center 5834 is at 5.752343 -3.919658 -1.797580 ESP Fit Center 5835 is at 5.900222 -3.529735 -1.797580 ESP Fit Center 5836 is at 5.721744 -3.115752 -2.161623 ESP Fit Center 5837 is at 2.780317 -2.692839 -2.161623 ESP Fit Center 5838 is at 2.719511 -3.115752 -2.161623 ESP Fit Center 5839 is at 2.780317 -3.538666 -2.161623 ESP Fit Center 5840 is at 2.957808 -3.927317 -2.161623 ESP Fit Center 5841 is at 3.237606 -4.250220 -2.161623 ESP Fit Center 5842 is at 3.597042 -4.481216 -2.161623 ESP Fit Center 5843 is at 4.006997 -4.601589 -2.161623 ESP Fit Center 5844 is at 4.434259 -4.601589 -2.161623 ESP Fit Center 5845 is at 4.844214 -4.481216 -2.161623 ESP Fit Center 5846 is at 5.203650 -4.250220 -2.161623 ESP Fit Center 5847 is at 5.483447 -3.927317 -2.161623 ESP Fit Center 5848 is at 5.660939 -3.538666 -2.161623 ESP Fit Center 5849 is at 5.417728 -3.115752 -2.465640 ESP Fit Center 5850 is at 3.095721 -2.706320 -2.465640 ESP Fit Center 5851 is at 3.023527 -3.115752 -2.465640 ESP Fit Center 5852 is at 3.095721 -3.525185 -2.465640 ESP Fit Center 5853 is at 3.303596 -3.885233 -2.465640 ESP Fit Center 5854 is at 3.622078 -4.152472 -2.465640 ESP Fit Center 5855 is at 4.012754 -4.294666 -2.465640 ESP Fit Center 5856 is at 4.428502 -4.294666 -2.465640 ESP Fit Center 5857 is at 4.819178 -4.152472 -2.465640 ESP Fit Center 5858 is at 5.137660 -3.885233 -2.465640 ESP Fit Center 5859 is at 5.345534 -3.525185 -2.465640 ESP Fit Center 5860 is at 5.053685 -3.115752 -2.694383 ESP Fit Center 5861 is at 4.942076 -2.699224 -2.694383 ESP Fit Center 5862 is at 4.637156 -2.394304 -2.694383 ESP Fit Center 5863 is at 4.220628 -2.282695 -2.694383 ESP Fit Center 5864 is at 3.804099 -2.394304 -2.694383 ESP Fit Center 5865 is at 3.499180 -2.699224 -2.694383 ESP Fit Center 5866 is at 3.387571 -3.115752 -2.694383 ESP Fit Center 5867 is at 3.499180 -3.532281 -2.694383 ESP Fit Center 5868 is at 3.804099 -3.837200 -2.694383 ESP Fit Center 5869 is at 4.220628 -3.948809 -2.694383 ESP Fit Center 5870 is at 4.637156 -3.837200 -2.694383 ESP Fit Center 5871 is at 4.942076 -3.532281 -2.694383 ESP Fit Center 5872 is at 4.647868 -3.115752 -2.836385 ESP Fit Center 5873 is at 4.434248 -2.745751 -2.836385 ESP Fit Center 5874 is at 4.007008 -2.745751 -2.836385 ESP Fit Center 5875 is at 3.793388 -3.115752 -2.836385 ESP Fit Center 5876 is at 4.007008 -3.485753 -2.836385 ESP Fit Center 5877 is at 4.434248 -3.485753 -2.836385 ESP Fit Center 5878 is at 4.220628 -3.115752 -2.884523 ESP Fit Center 5879 is at 3.532729 -2.333074 4.694550 ESP Fit Center 5880 is at 3.959969 -2.333074 4.646412 ESP Fit Center 5881 is at 3.746349 -1.963073 4.646412 ESP Fit Center 5882 is at 3.319109 -1.963073 4.646412 ESP Fit Center 5883 is at 3.105489 -2.333074 4.646412 ESP Fit Center 5884 is at 3.319109 -2.703075 4.646412 ESP Fit Center 5885 is at 3.746349 -2.703075 4.646412 ESP Fit Center 5886 is at 4.365786 -2.333074 4.504410 ESP Fit Center 5887 is at 4.254177 -1.916546 4.504410 ESP Fit Center 5888 is at 3.949257 -1.611626 4.504410 ESP Fit Center 5889 is at 3.532729 -1.500017 4.504410 ESP Fit Center 5890 is at 2.811281 -2.749603 4.504410 ESP Fit Center 5891 is at 3.116201 -3.054522 4.504410 ESP Fit Center 5892 is at 3.532729 -3.166131 4.504410 ESP Fit Center 5893 is at 3.949257 -3.054522 4.504410 ESP Fit Center 5894 is at 4.254177 -2.749603 4.504410 ESP Fit Center 5895 is at 4.729829 -2.333074 4.275666 ESP Fit Center 5896 is at 4.657635 -1.923642 4.275666 ESP Fit Center 5897 is at 4.449761 -1.563593 4.275666 ESP Fit Center 5898 is at 4.131279 -1.296355 4.275666 ESP Fit Center 5899 is at 2.615697 -3.102555 4.275666 ESP Fit Center 5900 is at 2.934179 -3.369794 4.275666 ESP Fit Center 5901 is at 3.324855 -3.511988 4.275666 ESP Fit Center 5902 is at 3.740603 -3.511988 4.275666 ESP Fit Center 5903 is at 4.131279 -3.369794 4.275666 ESP Fit Center 5904 is at 4.449761 -3.102555 4.275666 ESP Fit Center 5905 is at 4.657635 -2.742507 4.275666 ESP Fit Center 5906 is at 5.033845 -2.333074 3.971650 ESP Fit Center 5907 is at 4.973040 -1.910161 3.971650 ESP Fit Center 5908 is at 2.549707 -3.467542 3.971650 ESP Fit Center 5909 is at 2.909143 -3.698538 3.971650 ESP Fit Center 5910 is at 3.319098 -3.818911 3.971650 ESP Fit Center 5911 is at 3.746360 -3.818911 3.971650 ESP Fit Center 5912 is at 4.156315 -3.698538 3.971650 ESP Fit Center 5913 is at 4.515751 -3.467542 3.971650 ESP Fit Center 5914 is at 4.795548 -3.144639 3.971650 ESP Fit Center 5915 is at 4.973040 -2.755988 3.971650 ESP Fit Center 5916 is at 2.237910 -3.480184 3.607607 ESP Fit Center 5917 is at 2.550056 -3.756721 3.607607 ESP Fit Center 5918 is at 2.919312 -3.950522 3.607607 ESP Fit Center 5919 is at 3.324217 -4.050322 3.607607 ESP Fit Center 5920 is at 3.741241 -4.050322 3.607607 ESP Fit Center 5921 is at 4.146146 -3.950522 3.607607 ESP Fit Center 5922 is at 4.515402 -3.756721 3.607607 ESP Fit Center 5923 is at 4.827548 -3.480184 3.607607 ESP Fit Center 5924 is at 5.064444 -3.136980 3.607607 ESP Fit Center 5925 is at 5.212323 -2.747057 3.607607 ESP Fit Center 5926 is at 2.365642 -3.796554 3.201790 ESP Fit Center 5927 is at 2.720559 -4.019563 3.201790 ESP Fit Center 5928 is at 3.116201 -4.158004 3.201790 ESP Fit Center 5929 is at 3.532729 -4.204936 3.201790 ESP Fit Center 5930 is at 3.949257 -4.158004 3.201790 ESP Fit Center 5931 is at 4.344899 -4.019563 3.201790 ESP Fit Center 5932 is at 4.699816 -3.796554 3.201790 ESP Fit Center 5933 is at 4.996209 -3.500161 3.201790 ESP Fit Center 5934 is at 5.219218 -3.145244 3.201790 ESP Fit Center 5935 is at 2.822064 -4.116709 2.774550 ESP Fit Center 5936 is at 3.222107 -4.227781 2.774550 ESP Fit Center 5937 is at 1.032312 -1.681353 5.131903 ESP Fit Center 5938 is at 1.245932 -2.051354 5.131903 ESP Fit Center 5939 is at 1.673172 -2.051354 5.131903 ESP Fit Center 5940 is at .626495 -1.681353 4.989901 ESP Fit Center 5941 is at .738104 -2.097881 4.989901 ESP Fit Center 5942 is at 1.043024 -2.402801 4.989901 ESP Fit Center 5943 is at 1.459552 -2.514410 4.989901 ESP Fit Center 5944 is at 1.876080 -2.402801 4.989901 ESP Fit Center 5945 is at 2.181000 -2.097881 4.989901 ESP Fit Center 5946 is at .262451 -1.681353 4.761157 ESP Fit Center 5947 is at .334645 -2.090786 4.761157 ESP Fit Center 5948 is at .542520 -2.450834 4.761157 ESP Fit Center 5949 is at .861002 -2.718072 4.761157 ESP Fit Center 5950 is at 1.251678 -2.860267 4.761157 ESP Fit Center 5951 is at 1.667426 -2.860267 4.761157 ESP Fit Center 5952 is at 2.058102 -2.718072 4.761157 ESP Fit Center 5953 is at 2.376584 -2.450834 4.761157 ESP Fit Center 5954 is at 2.584458 -2.090786 4.761157 ESP Fit Center 5955 is at -.041565 -1.681353 4.457141 ESP Fit Center 5956 is at .019241 -2.104266 4.457141 ESP Fit Center 5957 is at .196732 -2.492918 4.457141 ESP Fit Center 5958 is at .476530 -2.815821 4.457141 ESP Fit Center 5959 is at .835966 -3.046817 4.457141 ESP Fit Center 5960 is at 1.245921 -3.167190 4.457141 ESP Fit Center 5961 is at 1.673183 -3.167190 4.457141 ESP Fit Center 5962 is at 2.083138 -3.046817 4.457141 ESP Fit Center 5963 is at 2.442574 -2.815821 4.457141 ESP Fit Center 5964 is at -.220042 -2.095336 4.093098 ESP Fit Center 5965 is at -.072163 -2.485259 4.093098 ESP Fit Center 5966 is at .164733 -2.828463 4.093098 ESP Fit Center 5967 is at .476879 -3.105000 4.093098 ESP Fit Center 5968 is at .846135 -3.298800 4.093098 ESP Fit Center 5969 is at 1.251040 -3.398601 4.093098 ESP Fit Center 5970 is at 1.668064 -3.398601 4.093098 ESP Fit Center 5971 is at 2.072969 -3.298800 4.093098 ESP Fit Center 5972 is at -.412310 -1.681353 3.687281 ESP Fit Center 5973 is at -.365378 -2.097881 3.687281 ESP Fit Center 5974 is at -.226937 -2.493523 3.687281 ESP Fit Center 5975 is at -.003928 -2.848440 3.687281 ESP Fit Center 5976 is at .292465 -3.144833 3.687281 ESP Fit Center 5977 is at .647382 -3.367842 3.687281 ESP Fit Center 5978 is at 1.043024 -3.506283 3.687281 ESP Fit Center 5979 is at 1.459552 -3.553215 3.687281 ESP Fit Center 5980 is at 1.876080 -3.506283 3.687281 ESP Fit Center 5981 is at -.449193 -1.888942 3.260041 ESP Fit Center 5982 is at -.359942 -2.294412 3.260041 ESP Fit Center 5983 is at -.185614 -2.671216 3.260041 ESP Fit Center 5984 is at .065641 -3.001736 3.260041 ESP Fit Center 5985 is at .382073 -3.270516 3.260041 ESP Fit Center 5986 is at .748887 -3.464988 3.260041 ESP Fit Center 5987 is at 1.148930 -3.576060 3.260041 ESP Fit Center 5988 is at 1.563499 -3.598537 3.260041 ESP Fit Center 5989 is at 1.973206 -3.531369 3.260041 ESP Fit Center 5990 is at -.365378 -2.097881 2.832801 ESP Fit Center 5991 is at -.226937 -2.493523 2.832801 ESP Fit Center 5992 is at -.003928 -2.848440 2.832801 ESP Fit Center 5993 is at .292465 -3.144833 2.832801 ESP Fit Center 5994 is at .647382 -3.367842 2.832801 ESP Fit Center 5995 is at -.220042 -2.095336 2.426984 ESP Fit Center 5996 is at -.072163 -2.485259 2.426984 ESP Fit Center 5997 is at .164733 -2.828463 2.426984 ESP Fit Center 5998 is at .019241 -2.104266 2.062941 ESP Fit Center 5999 is at -.016433 .187389 5.872832 ESP Fit Center 6000 is at .410807 .187389 5.824694 ESP Fit Center 6001 is at .197187 .557390 5.824694 ESP Fit Center 6002 is at -.230053 .557390 5.824694 ESP Fit Center 6003 is at -.443673 .187389 5.824694 ESP Fit Center 6004 is at -.230053 -.182612 5.824694 ESP Fit Center 6005 is at .197187 -.182612 5.824694 ESP Fit Center 6006 is at -.016433 1.020446 5.682692 ESP Fit Center 6007 is at -.432961 .908837 5.682692 ESP Fit Center 6008 is at -.737881 .603917 5.682692 ESP Fit Center 6009 is at -.849490 .187389 5.682692 ESP Fit Center 6010 is at -.737881 -.229139 5.682692 ESP Fit Center 6011 is at -.432961 -.534059 5.682692 ESP Fit Center 6012 is at -.016433 -.645668 5.682692 ESP Fit Center 6013 is at .400095 -.534059 5.682692 ESP Fit Center 6014 is at -.224307 1.366303 5.453948 ESP Fit Center 6015 is at -.614983 1.224108 5.453948 ESP Fit Center 6016 is at -.933465 .956870 5.453948 ESP Fit Center 6017 is at -1.141339 .596821 5.453948 ESP Fit Center 6018 is at -1.213533 .187389 5.453948 ESP Fit Center 6019 is at -1.141339 -.222044 5.453948 ESP Fit Center 6020 is at -.933465 -.582092 5.453948 ESP Fit Center 6021 is at -.614983 -.849330 5.453948 ESP Fit Center 6022 is at -.224307 -.991525 5.453948 ESP Fit Center 6023 is at .191441 -.991525 5.453948 ESP Fit Center 6024 is at .582117 -.849330 5.453948 ESP Fit Center 6025 is at -.230064 1.673226 5.149932 ESP Fit Center 6026 is at -.640019 1.552852 5.149932 ESP Fit Center 6027 is at -.999455 1.321857 5.149932 ESP Fit Center 6028 is at -1.279253 .998954 5.149932 ESP Fit Center 6029 is at -1.456744 .610302 5.149932 ESP Fit Center 6030 is at -1.517549 .187389 5.149932 ESP Fit Center 6031 is at -1.456744 -.235524 5.149932 ESP Fit Center 6032 is at -1.279253 -.624176 5.149932 ESP Fit Center 6033 is at -.999455 -.947079 5.149932 ESP Fit Center 6034 is at -.640019 -1.178075 5.149932 ESP Fit Center 6035 is at -.230064 -1.298448 5.149932 ESP Fit Center 6036 is at .197198 -1.298448 5.149932 ESP Fit Center 6037 is at -.629850 1.804836 4.785889 ESP Fit Center 6038 is at -.999106 1.611036 4.785889 ESP Fit Center 6039 is at -1.311252 1.334498 4.785889 ESP Fit Center 6040 is at -1.548148 .991295 4.785889 ESP Fit Center 6041 is at -1.696027 .601372 4.785889 ESP Fit Center 6042 is at -1.746293 .187389 4.785889 ESP Fit Center 6043 is at -1.696027 -.226594 4.785889 ESP Fit Center 6044 is at -1.548148 -.616517 4.785889 ESP Fit Center 6045 is at -1.311252 -.959721 4.785889 ESP Fit Center 6046 is at -.999106 -1.236258 4.785889 ESP Fit Center 6047 is at -.629850 -1.430058 4.785889 ESP Fit Center 6048 is at -.224945 -1.529859 4.785889 ESP Fit Center 6049 is at .192079 -1.529859 4.785889 ESP Fit Center 6050 is at -.828603 1.873878 4.380072 ESP Fit Center 6051 is at -1.183520 1.650869 4.380072 ESP Fit Center 6052 is at -1.479913 1.354476 4.380072 ESP Fit Center 6053 is at -1.702922 .999559 4.380072 ESP Fit Center 6054 is at -1.841363 .603917 4.380072 ESP Fit Center 6055 is at -1.888295 .187389 4.380072 ESP Fit Center 6056 is at -1.841363 -.229139 4.380072 ESP Fit Center 6057 is at -1.702922 -.624781 4.380072 ESP Fit Center 6058 is at -1.479913 -.979698 4.380072 ESP Fit Center 6059 is at -1.183520 -1.276091 4.380072 ESP Fit Center 6060 is at -.828603 -1.499100 4.380072 ESP Fit Center 6061 is at -.432961 -1.637541 4.380072 ESP Fit Center 6062 is at -1.093912 1.776552 3.952832 ESP Fit Center 6063 is at -1.410344 1.507772 3.952832 ESP Fit Center 6064 is at -1.661599 1.177252 3.952832 ESP Fit Center 6065 is at -1.835927 .800448 3.952832 ESP Fit Center 6066 is at -1.925178 .394977 3.952832 ESP Fit Center 6067 is at -1.925178 -.020200 3.952832 ESP Fit Center 6068 is at -1.835927 -.425670 3.952832 ESP Fit Center 6069 is at -1.661599 -.802474 3.952832 ESP Fit Center 6070 is at -1.410344 -1.132994 3.952832 ESP Fit Center 6071 is at -1.093912 -1.401774 3.952832 ESP Fit Center 6072 is at -.727098 -1.596246 3.952832 ESP Fit Center 6073 is at -1.183520 1.650869 3.525592 ESP Fit Center 6074 is at -1.479913 1.354476 3.525592 ESP Fit Center 6075 is at -1.702922 .999559 3.525592 ESP Fit Center 6076 is at -1.841363 .603917 3.525592 ESP Fit Center 6077 is at -1.888295 .187389 3.525592 ESP Fit Center 6078 is at -1.841363 -.229139 3.525592 ESP Fit Center 6079 is at -1.702922 -.624781 3.525592 ESP Fit Center 6080 is at -1.479913 -.979698 3.525592 ESP Fit Center 6081 is at -1.183520 -1.276091 3.525592 ESP Fit Center 6082 is at -.828603 -1.499100 3.525592 ESP Fit Center 6083 is at -1.311252 1.334498 3.119775 ESP Fit Center 6084 is at -1.548148 .991295 3.119775 ESP Fit Center 6085 is at -1.696027 .601372 3.119775 ESP Fit Center 6086 is at -1.746293 .187389 3.119775 ESP Fit Center 6087 is at -1.696027 -.226594 3.119775 ESP Fit Center 6088 is at -1.548148 -.616517 3.119775 ESP Fit Center 6089 is at -1.311252 -.959721 3.119775 ESP Fit Center 6090 is at -.999106 -1.236258 3.119775 ESP Fit Center 6091 is at -1.456744 .610302 2.755732 ESP Fit Center 6092 is at -1.517549 .187389 2.755732 ESP Fit Center 6093 is at -1.456744 -.235524 2.755732 ESP Fit Center 6094 is at -1.279253 -.624176 2.755732 ESP Fit Center 6095 is at .650402 2.515602 5.224679 ESP Fit Center 6096 is at .864022 2.885603 5.176541 ESP Fit Center 6097 is at .436782 2.885603 5.176541 ESP Fit Center 6098 is at .223162 2.515602 5.176541 ESP Fit Center 6099 is at 1.066930 3.237050 5.034539 ESP Fit Center 6100 is at .650402 3.348659 5.034539 ESP Fit Center 6101 is at .233874 3.237050 5.034539 ESP Fit Center 6102 is at -.071046 2.932130 5.034539 ESP Fit Center 6103 is at -.182655 2.515602 5.034539 ESP Fit Center 6104 is at -.071046 2.099074 5.034539 ESP Fit Center 6105 is at 1.567434 3.285083 4.805795 ESP Fit Center 6106 is at 1.248952 3.552321 4.805795 ESP Fit Center 6107 is at .858276 3.694516 4.805795 ESP Fit Center 6108 is at .442528 3.694516 4.805795 ESP Fit Center 6109 is at .051852 3.552321 4.805795 ESP Fit Center 6110 is at -.266630 3.285083 4.805795 ESP Fit Center 6111 is at -.474504 2.925034 4.805795 ESP Fit Center 6112 is at -.546698 2.515602 4.805795 ESP Fit Center 6113 is at -.474504 2.106169 4.805795 ESP Fit Center 6114 is at 1.273988 3.881065 4.501779 ESP Fit Center 6115 is at .864033 4.001439 4.501779 ESP Fit Center 6116 is at .436771 4.001439 4.501779 ESP Fit Center 6117 is at .026816 3.881065 4.501779 ESP Fit Center 6118 is at -.332620 3.650070 4.501779 ESP Fit Center 6119 is at -.612418 3.327167 4.501779 ESP Fit Center 6120 is at -.789909 2.938515 4.501779 ESP Fit Center 6121 is at -.850714 2.515602 4.501779 ESP Fit Center 6122 is at -.789909 2.092689 4.501779 ESP Fit Center 6123 is at .441890 4.232850 4.137736 ESP Fit Center 6124 is at .036985 4.133049 4.137736 ESP Fit Center 6125 is at -.332271 3.939249 4.137736 ESP Fit Center 6126 is at -.644417 3.662711 4.137736 ESP Fit Center 6127 is at -.881313 3.319508 4.137736 ESP Fit Center 6128 is at -1.029192 2.929585 4.137736 ESP Fit Center 6129 is at -1.079458 2.515602 4.137736 ESP Fit Center 6130 is at -1.029192 2.101619 4.137736 ESP Fit Center 6131 is at .233874 4.340532 3.731919 ESP Fit Center 6132 is at -.161768 4.202091 3.731919 ESP Fit Center 6133 is at -.516685 3.979082 3.731919 ESP Fit Center 6134 is at -.813078 3.682689 3.731919 ESP Fit Center 6135 is at -1.036087 3.327772 3.731919 ESP Fit Center 6136 is at -1.174528 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6838 is at -9.489770 2.461898 .383746 ESP Fit Center 6839 is at -9.769568 2.138995 .383746 ESP Fit Center 6840 is at -9.947059 1.750343 .383746 ESP Fit Center 6841 is at -9.105298 2.364149 .079729 ESP Fit Center 6842 is at -9.423780 2.096911 .079729 ESP Fit Center 6843 is at -6.986128 -5.046596 1.739167 ESP Fit Center 6844 is at -6.626692 -4.815601 1.739167 ESP Fit Center 6845 is at -7.818226 -5.398381 1.375124 ESP Fit Center 6846 is at -7.401203 -5.398381 1.375124 ESP Fit Center 6847 is at -6.996297 -5.298580 1.375124 ESP Fit Center 6848 is at -6.627042 -5.104780 1.375124 ESP Fit Center 6849 is at -6.314895 -4.828242 1.375124 ESP Fit Center 6850 is at -6.077999 -4.485039 1.375124 ESP Fit Center 6851 is at -8.421884 -5.367622 .969307 ESP Fit Center 6852 is at -8.026243 -5.506063 .969307 ESP Fit Center 6853 is at -7.609714 -5.552994 .969307 ESP Fit Center 6854 is at -7.193186 -5.506063 .969307 ESP Fit Center 6855 is at -6.797544 -5.367622 .969307 ESP Fit Center 6856 is at -6.442628 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Center 6875 is at -6.442628 -5.144613 .114827 ESP Fit Center 6876 is at -6.146234 -4.848220 .114827 ESP Fit Center 6877 is at -5.923225 -4.493303 .114827 ESP Fit Center 6878 is at -8.904533 -4.828242 -.290990 ESP Fit Center 6879 is at -8.592387 -5.104780 -.290990 ESP Fit Center 6880 is at -8.223131 -5.298580 -.290990 ESP Fit Center 6881 is at -7.818226 -5.398381 -.290990 ESP Fit Center 6882 is at -7.401203 -5.398381 -.290990 ESP Fit Center 6883 is at -6.996297 -5.298580 -.290990 ESP Fit Center 6884 is at -6.627042 -5.104780 -.290990 ESP Fit Center 6885 is at -6.314895 -4.828242 -.290990 ESP Fit Center 6886 is at -8.872534 -4.492698 -.655033 ESP Fit Center 6887 is at -8.592736 -4.815601 -.655033 ESP Fit Center 6888 is at -8.233300 -5.046596 -.655033 ESP Fit Center 6889 is at -7.823345 -5.166970 -.655033 ESP Fit Center 6890 is at -7.396083 -5.166970 -.655033 ESP Fit Center 6891 is at -6.986128 -5.046596 -.655033 ESP Fit Center 6892 is at -6.626692 -4.815601 -.655033 ESP Fit Center 6893 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6965 is at -9.659042 -4.864596 1.404384 ESP Fit Center 6966 is at -10.411857 -1.913874 .977144 ESP Fit Center 6967 is at -10.634866 -2.268791 .977144 ESP Fit Center 6968 is at -10.773307 -2.664432 .977144 ESP Fit Center 6969 is at -10.820239 -3.080961 .977144 ESP Fit Center 6970 is at -10.773307 -3.497489 .977144 ESP Fit Center 6971 is at -10.634866 -3.893131 .977144 ESP Fit Center 6972 is at -10.411857 -4.248047 .977144 ESP Fit Center 6973 is at -10.115464 -4.544441 .977144 ESP Fit Center 6974 is at -9.760547 -4.767450 .977144 ESP Fit Center 6975 is at -10.243196 -1.933851 .571327 ESP Fit Center 6976 is at -10.480092 -2.277055 .571327 ESP Fit Center 6977 is at -10.627971 -2.666978 .571327 ESP Fit Center 6978 is at -10.678237 -3.080961 .571327 ESP Fit Center 6979 is at -10.627971 -3.494944 .571327 ESP Fit Center 6980 is at -10.480092 -3.884867 .571327 ESP Fit Center 6981 is at -10.243196 -4.228070 .571327 ESP Fit Center 6982 is at -9.931050 -4.504608 .571327 ESP Fit Center 6983 is at 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Center 7037 is at -4.252431 -1.595146 -3.450437 ESP Fit Center 7038 is at -4.038811 -1.965147 -3.450437 ESP Fit Center 7039 is at -3.611571 -1.965147 -3.450437 ESP Fit Center 7040 is at -3.825191 -1.595146 -3.498575 ESP Fit Center 7041 is at -2.472518 3.441024 1.961820 ESP Fit Center 7042 is at -2.045278 3.441024 1.913682 ESP Fit Center 7043 is at -2.258898 3.811025 1.913682 ESP Fit Center 7044 is at -2.686138 3.811025 1.913682 ESP Fit Center 7045 is at -2.258898 3.071023 1.913682 ESP Fit Center 7046 is at -1.639461 3.441024 1.771680 ESP Fit Center 7047 is at -1.751070 3.857552 1.771680 ESP Fit Center 7048 is at -2.055990 4.162472 1.771680 ESP Fit Center 7049 is at -2.472518 4.274081 1.771680 ESP Fit Center 7050 is at -2.889046 4.162472 1.771680 ESP Fit Center 7051 is at -1.347612 3.850456 1.542936 ESP Fit Center 7052 is at -1.555486 4.210505 1.542936 ESP Fit Center 7053 is at -1.873968 4.477743 1.542936 ESP Fit Center 7054 is at -2.264644 4.619938 1.542936 ESP Fit Center 7055 is at 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7074 is at -.729973 4.247211 .041820 ESP Fit Center 7075 is at -.944019 4.602958 .041820 ESP Fit Center 7076 is at -1.229536 4.904375 .041820 ESP Fit Center 7077 is at -1.573174 5.137367 .041820 ESP Fit Center 7078 is at -1.958864 5.291040 .041820 ESP Fit Center 7079 is at -2.368571 5.358208 .041820 ESP Fit Center 7080 is at -2.783139 5.335731 .041820 ESP Fit Center 7081 is at -.786029 4.253194 -.385420 ESP Fit Center 7082 is at -1.009038 4.608111 -.385420 ESP Fit Center 7083 is at -1.305431 4.904504 -.385420 ESP Fit Center 7084 is at -1.660348 5.127513 -.385420 ESP Fit Center 7085 is at -2.055990 5.265954 -.385420 ESP Fit Center 7086 is at -2.472518 5.312886 -.385420 ESP Fit Center 7087 is at -.940803 4.244930 -.791237 ESP Fit Center 7088 is at -1.177699 4.588134 -.791237 ESP Fit Center 7089 is at -1.489845 4.864671 -.791237 ESP Fit Center 7090 is at -1.859101 5.058471 -.791237 ESP Fit Center 7091 is at -2.264006 5.158272 -.791237 ESP Fit Center 7092 is at -1.032207 3.863937 -1.155280 ESP Fit Center 7093 is at -1.209698 4.252589 -1.155280 ESP Fit Center 7094 is at -1.489496 4.575492 -1.155280 ESP Fit Center 7095 is at -1.848932 4.806488 -1.155280 ESP Fit Center 7096 is at -2.258887 4.926861 -1.155280 ESP Fit Center 7097 is at -1.347612 3.850456 -1.459297 ESP Fit Center 7098 is at -1.555486 4.210505 -1.459297 ESP Fit Center 7099 is at -1.873968 4.477743 -1.459297 ESP Fit Center 7100 is at 1.023461 3.033481 -.399495 ESP Fit Center 7101 is at 1.151193 2.717110 -.805312 ESP Fit Center 7102 is at .839047 2.993648 -.805312 ESP Fit Center 7103 is at .839396 2.704469 -1.169355 ESP Fit Center 7104 is at .454924 2.606720 -1.473372 ESP Fit Center 7105 is at -.586245 -1.376072 1.124810 ESP Fit Center 7106 is at -.328135 -1.715610 1.124810 ESP Fit Center 7107 is at -.844061 -1.565270 .845371 ESP Fit Center 7108 is at .792694 2.865828 -1.445655 ESP Fit Center 7109 is at 1.103809 2.853081 -1.868560 ESP Fit Center 7110 is at .684522 2.825600 -1.868560 ESP Fit Center 7111 is at 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-2.259694 -4.016120 ESP Fit Center 7130 is at 2.027692 -2.101828 -4.016120 ESP Fit Center 7131 is at .293809 -1.762161 -4.251577 ESP Fit Center 7132 is at .684522 -1.924000 -4.251577 ESP Fit Center 7133 is at 1.103809 -1.979200 -4.251577 ESP Fit Center 7134 is at 1.523096 -1.924000 -4.251577 ESP Fit Center 7135 is at 1.913809 -1.762161 -4.251577 ESP Fit Center 7136 is at .483862 -1.432980 -4.439025 ESP Fit Center 7137 is at .888504 -1.580258 -4.439025 ESP Fit Center 7138 is at 1.319114 -1.580258 -4.439025 ESP Fit Center 7139 is at 1.723756 -1.432980 -4.439025 ESP Fit Center 7140 is at .684522 -1.085426 -4.575255 ESP Fit Center 7141 is at 1.103809 -1.197774 -4.575255 ESP Fit Center 7142 is at 1.523096 -1.085426 -4.575255 ESP Fit Center 7143 is at 1.526714 -.359200 -4.657936 ESP Fit Center 7144 is at 1.315261 -.725446 -4.657936 ESP Fit Center 7145 is at 2.926666 -2.700574 -2.828378 ESP Fit Center 7146 is at 2.715395 -2.592702 -3.222028 ESP Fit Center 7147 is at 3.134008 -2.514450 -3.222028 ESP Fit Center 7148 is at 2.821924 -2.380130 -3.588064 ESP Fit Center 7149 is at 3.235159 -2.273136 -3.588064 ESP Fit Center 7150 is at 2.394661 -2.145686 -3.916505 ESP Fit Center 7151 is at 2.824411 -2.120656 -3.916505 ESP Fit Center 7152 is at 3.236804 -1.997193 -3.916505 ESP Fit Center 7153 is at 2.396836 -1.839006 -4.198389 ESP Fit Center 7154 is at 2.817375 -1.810240 -4.198389 ESP Fit Center 7155 is at 2.294192 -1.475964 -4.426029 ESP Fit Center 7156 is at 2.710734 -1.475964 -4.426029 ESP Fit Center 7157 is at 1.793844 .114323 -4.593215 ESP Fit Center 7158 is at 1.793844 -.703919 -4.593215 ESP Fit Center 7159 is at 2.093342 -1.003417 -4.593215 ESP Fit Center 7160 is at 2.502463 -1.113041 -4.593215 ESP Fit Center 7161 is at 2.087685 -.294798 -4.695386 ESP Fit Center 7162 is at 2.295074 -.654007 -4.695386 ESP Fit Center 7163 is at 5.881522 2.197248 -.121008 ESP Fit Center 7164 is at 6.171426 2.199068 -.473395 ESP Fit Center 7165 is at 5.909951 2.526948 -.473395 ESP Fit Center 7166 is at 6.391585 2.204680 -.853501 ESP Fit Center 7167 is at 6.146118 2.542537 -.853501 ESP Fit Center 7168 is at 5.856019 2.842943 -.853501 ESP Fit Center 7169 is at 6.734330 1.840198 -1.254821 ESP Fit Center 7170 is at 6.545776 2.213332 -1.254821 ESP Fit Center 7171 is at 6.309172 2.558005 -1.254821 ESP Fit Center 7172 is at 6.028738 2.868066 -1.254821 ESP Fit Center 7173 is at 5.709479 3.137983 -1.254821 ESP Fit Center 7174 is at 6.955889 1.449835 -1.670490 ESP Fit Center 7175 is at 6.820825 1.847723 -1.670490 ESP Fit Center 7176 is at 6.634981 2.224577 -1.670490 ESP Fit Center 7177 is at 6.401538 2.573949 -1.670490 ESP Fit Center 7178 is at 6.124490 2.889862 -1.670490 ESP Fit Center 7179 is at 5.808577 3.166910 -1.670490 ESP Fit Center 7180 is at 7.066464 1.032758 -2.093395 ESP Fit Center 7181 is at 6.987099 1.440277 -2.093395 ESP Fit Center 7182 is at 6.856274 1.834301 -2.093395 ESP Fit Center 7183 is at 6.676137 2.208361 -2.093395 ESP Fit Center 7184 is at 6.449644 2.556314 -2.093395 ESP Fit Center 7185 is at 6.180516 2.872447 -2.093395 ESP Fit Center 7186 is at 5.873171 3.151570 -2.093395 ESP Fit Center 7187 is at 6.955889 1.449835 -2.516300 ESP Fit Center 7188 is at 6.820825 1.847723 -2.516300 ESP Fit Center 7189 is at 6.634981 2.224577 -2.516300 ESP Fit Center 7190 is at 6.401538 2.573949 -2.516300 ESP Fit Center 7191 is at 6.124490 2.889862 -2.516300 ESP Fit Center 7192 is at 5.808577 3.166910 -2.516300 ESP Fit Center 7193 is at 6.734330 1.840198 -2.931969 ESP Fit Center 7194 is at 6.545776 2.213332 -2.931969 ESP Fit Center 7195 is at 6.309172 2.558005 -2.931969 ESP Fit Center 7196 is at 6.028738 2.868066 -2.931969 ESP Fit Center 7197 is at 5.709479 3.137983 -2.931969 ESP Fit Center 7198 is at 5.357092 3.362938 -2.931969 ESP Fit Center 7199 is at 6.391585 2.204680 -3.333289 ESP Fit Center 7200 is at 6.146118 2.542537 -3.333289 ESP Fit Center 7201 is at 5.856019 2.842943 -3.333289 ESP Fit Center 7202 is at 5.526935 3.100052 -3.333289 ESP Fit Center 7203 is at 5.165271 3.308859 -3.333289 ESP Fit Center 7204 is at 1.431377 2.377894 -3.333289 ESP Fit Center 7205 is at 3.540172 -2.358536 -3.333289 ESP Fit Center 7206 is at 3.957531 -2.373110 -3.333289 ESP Fit Center 7207 is at 4.372857 -2.329458 -3.333289 ESP Fit Center 7208 is at 5.909951 2.526948 -3.713395 ESP Fit Center 7209 is at 5.602528 2.812194 -3.713395 ESP Fit Center 7210 is at 5.256025 3.048436 -3.713395 ESP Fit Center 7211 is at 4.878182 3.230395 -3.713395 ESP Fit Center 7212 is at 4.477440 3.354008 -3.713395 ESP Fit Center 7213 is at 1.796177 2.526948 -3.713395 ESP Fit Center 7214 is at 1.534702 2.199068 -3.713395 ESP Fit Center 7215 is at 3.643377 -2.179641 -3.713395 ESP Fit Center 7216 is at 4.062751 -2.179641 -3.713395 ESP Fit Center 7217 is at 5.593992 2.509588 -4.065782 ESP Fit Center 7218 is at 5.258975 2.770343 -4.065782 ESP Fit Center 7219 is at 4.885608 2.972399 -4.065782 ESP Fit Center 7220 is at 4.484076 3.110245 -4.065782 ESP Fit Center 7221 is at 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-4.384421 ESP Fit Center 7240 is at 1.905194 1.824506 -4.384421 ESP Fit Center 7241 is at 1.716746 1.446050 -4.384421 ESP Fit Center 7242 is at 3.226095 -1.585132 -4.384421 ESP Fit Center 7243 is at 4.776947 2.361064 -4.663860 ESP Fit Center 7244 is at 4.380733 2.518929 -4.663860 ESP Fit Center 7245 is at 3.959847 2.587930 -4.663860 ESP Fit Center 7246 is at 3.533967 2.564840 -4.663860 ESP Fit Center 7247 is at 3.123008 2.450737 -4.663860 ESP Fit Center 7248 is at 2.746186 2.250959 -4.663860 ESP Fit Center 7249 is at 2.421120 1.974845 -4.663860 ESP Fit Center 7250 is at 2.163010 1.635308 -4.663860 ESP Fit Center 7251 is at 1.983925 1.248222 -4.663860 ESP Fit Center 7252 is at 1.892239 .831688 -4.663860 ESP Fit Center 7253 is at 1.892239 .405183 -4.663860 ESP Fit Center 7254 is at 1.983925 -.011350 -4.663860 ESP Fit Center 7255 is at 2.746186 -1.014087 -4.663860 ESP Fit Center 7256 is at 3.123008 -1.213866 -4.663860 ESP Fit Center 7257 is at 4.272351 2.183236 -4.899317 ESP Fit Center 7258 is at 3.853064 2.238436 -4.899317 ESP Fit Center 7259 is at 3.433777 2.183236 -4.899317 ESP Fit Center 7260 is at 3.043064 2.021397 -4.899317 ESP Fit Center 7261 is at 2.707551 1.763949 -4.899317 ESP Fit Center 7262 is at 2.450103 1.428436 -4.899317 ESP Fit Center 7263 is at 2.288264 1.037723 -4.899317 ESP Fit Center 7264 is at 2.233064 .618436 -4.899317 ESP Fit Center 7265 is at 2.288264 .199149 -4.899317 ESP Fit Center 7266 is at 2.450103 -.191564 -4.899317 ESP Fit Center 7267 is at 2.707551 -.527077 -4.899317 ESP Fit Center 7268 is at 3.043064 -.784525 -4.899317 ESP Fit Center 7269 is at 4.068369 1.839493 -5.086765 ESP Fit Center 7270 is at 3.637759 1.839493 -5.086765 ESP Fit Center 7271 is at 3.233117 1.692216 -5.086765 ESP Fit Center 7272 is at 2.903250 1.415425 -5.086765 ESP Fit Center 7273 is at 2.687944 1.042505 -5.086765 ESP Fit Center 7274 is at 2.613170 .618436 -5.086765 ESP Fit Center 7275 is at 2.687944 .194367 -5.086765 ESP Fit Center 7276 is at 2.903250 -.178553 -5.086765 ESP Fit Center 7277 is at 3.233117 -.455344 -5.086765 ESP Fit Center 7278 is at 3.853064 1.457010 -5.222995 ESP Fit Center 7279 is at 3.433777 1.344662 -5.222995 ESP Fit Center 7280 is at 3.126838 1.037723 -5.222995 ESP Fit Center 7281 is at 3.014490 .618436 -5.222995 ESP Fit Center 7282 is at 3.126838 .199149 -5.222995 ESP Fit Center 7283 is at 3.641612 .984682 -5.305676 ESP Fit Center 7284 is at 3.430159 .618436 -5.305676 ESP Fit Center 7285 is at 5.847437 1.858886 .335147 ESP Fit Center 7286 is at 8.165130 -1.600551 -.585834 ESP Fit Center 7287 is at 7.748413 -2.353386 -1.008207 ESP Fit Center 7288 is at 7.967059 -1.996588 -1.008207 ESP Fit Center 7289 is at 8.127198 -1.609979 -1.008207 ESP Fit Center 7290 is at 8.224886 -1.203078 -1.008207 ESP Fit Center 7291 is at 8.158813 -.785905 -1.420180 ESP Fit Center 7292 is at 8.019679 -1.619686 -1.420180 ESP Fit Center 7293 is at 8.123790 -1.208560 -1.420180 ESP Fit Center 7294 is at 7.996678 -.785905 -1.811608 ESP Fit Center 7295 is at 7.960129 -.368157 -1.811608 ESP Fit Center 7296 is at 7.735832 -.372515 -2.172854 ESP Fit Center 7297 is at 7.618837 .025934 -2.172854 ESP Fit Center 7298 is at 7.428549 .395041 -2.172854 ESP Fit Center 7299 is at 7.171845 .721466 -2.172854 ESP Fit Center 7300 is at 7.448285 -.680844 1.669962 ESP Fit Center 7301 is at 6.631918 -3.663019 -1.142832 ESP Fit Center 7302 is at 6.945758 -3.391074 -1.142832 ESP Fit Center 7303 is at 6.555232 -3.376367 -1.465000 ESP Fit Center 7304 is at 2.755121 -4.777751 -1.125155 ESP Fit Center 7305 is at 3.098628 -5.018277 -1.125155 ESP Fit Center 7306 is at 6.562122 -3.757668 -1.125155 ESP Fit Center 7307 is at 6.329364 -3.746703 -1.486401 ESP Fit Center 7308 is at 4.327072 -1.238502 4.503096 ESP Fit Center 7309 is at 4.756358 -1.236436 4.340961 ESP Fit Center 7310 is at 3.643203 -.449075 4.897915 ESP Fit Center 7311 is at 3.531422 -.031902 4.897915 ESP Fit Center 7312 is at 4.034631 -.449075 4.735780 ESP Fit Center 7313 is at 3.960708 -.029836 4.735780 ESP Fit Center 7314 is at 3.747855 .338837 4.735780 ESP Fit Center 7315 is at 3.421744 .612477 4.735780 ESP Fit Center 7316 is at 3.747855 -1.236988 4.735780 ESP Fit Center 7317 is at 3.960708 -.868315 4.735780 ESP Fit Center 7318 is at 4.395877 -.449075 4.514408 ESP Fit Center 7319 is at 4.341801 -.038324 4.514408 ESP Fit Center 7320 is at 4.183257 .344435 4.514408 ESP Fit Center 7321 is at 3.931050 .673118 4.514408 ESP Fit Center 7322 is at 4.341801 -.859826 4.514408 ESP Fit Center 7323 is at 4.718045 -.449075 4.239250 ESP Fit Center 7324 is at 4.670178 -.024241 4.239250 ESP Fit Center 7325 is at 4.528976 .379291 4.239250 ESP Fit Center 7326 is at 4.953729 -.035685 3.917082 ESP Fit Center 7327 is at 2.103485 -.660626 5.691825 ESP Fit Center 7328 is at 1.469925 -1.026412 5.691825 ESP Fit Center 7329 is at 1.892298 -1.026412 5.691825 ESP Fit Center 7330 is at 2.515458 -.660626 5.592920 ESP Fit Center 7331 is at 2.403677 -.243453 5.592920 ESP Fit Center 7332 is at 1.263939 -1.383191 5.592920 ESP Fit Center 7333 is at 1.681112 -1.494972 5.592920 ESP Fit Center 7334 is at 2.098285 -1.383191 5.592920 ESP Fit Center 7335 is at 2.403677 -1.077799 5.592920 ESP Fit Center 7336 is at 2.906886 -.660626 5.430785 ESP Fit Center 7337 is at 2.832963 -.241387 5.430785 ESP Fit Center 7338 is at .742114 -1.448539 5.430785 ESP Fit Center 7339 is at 1.068225 -1.722178 5.430785 ESP Fit Center 7340 is at 1.468258 -1.867778 5.430785 ESP Fit Center 7341 is at 1.893965 -1.867778 5.430785 ESP Fit Center 7342 is at 2.293999 -1.722178 5.430785 ESP Fit Center 7343 is at 2.620110 -1.448539 5.430785 ESP Fit Center 7344 is at 2.832963 -1.079866 5.430785 ESP Fit Center 7345 is at 3.268132 -.660626 5.209413 ESP Fit Center 7346 is at 3.214056 -.249875 5.209413 ESP Fit Center 7347 is at 3.055512 .132884 5.209413 ESP Fit Center 7348 is at 2.474622 -2.035026 5.209413 ESP Fit Center 7349 is at 2.803305 -1.782819 5.209413 ESP Fit Center 7350 is at 3.055512 -1.454136 5.209413 ESP Fit Center 7351 is at 3.214056 -1.071377 5.209413 ESP Fit Center 7352 is at 3.590300 -.660626 4.934255 ESP Fit Center 7353 is at 3.542433 -.235792 4.934255 ESP Fit Center 7354 is at 3.401231 .167740 4.934255 ESP Fit Center 7355 is at 3.173775 .529733 4.934255 ESP Fit Center 7356 is at 2.871471 -2.153290 4.934255 ESP Fit Center 7357 is at 3.173775 -1.850986 4.934255 ESP Fit Center 7358 is at 3.401231 -1.488992 4.934255 ESP Fit Center 7359 is at 3.542433 -1.085460 4.934255 ESP Fit Center 7360 is at -.694987 -1.871309 3.447440 ESP Fit Center 7361 is at -.694987 -1.871309 2.602694 ESP Fit Center 7362 is at -.747607 -1.494406 2.190721 ESP Fit Center 7363 is at -.577247 -1.882789 2.190721 ESP Fit Center 7364 is at -.345285 -2.237834 2.190721 ESP Fit Center 7365 is at -.579523 -1.483430 1.799293 ESP Fit Center 7366 is at -.402301 -1.863485 1.799293 ESP Fit Center 7367 is at -.414753 -1.276027 1.438047 ESP Fit Center 7368 is at -.260412 -1.661551 1.438047 ESP Fit Center 7369 is at .878626 .378200 6.094274 ESP Fit Center 7370 is at 1.300999 .378200 6.061032 ESP Fit Center 7371 is at 1.089812 .743986 6.061032 ESP Fit Center 7372 is at .667439 .743986 6.061032 ESP Fit Center 7373 is at .456253 .378200 6.061032 ESP Fit Center 7374 is at .667439 .012414 6.061032 ESP Fit Center 7375 is at 1.089812 .012414 6.061032 ESP Fit Center 7376 is at 1.712972 .378200 5.962127 ESP Fit Center 7377 is at 1.601191 .795373 5.962127 ESP Fit Center 7378 is at 1.295799 1.100765 5.962127 ESP Fit Center 7379 is at .878626 1.212546 5.962127 ESP Fit Center 7380 is at .461453 1.100765 5.962127 ESP Fit Center 7381 is at .878626 -.456146 5.962127 ESP Fit Center 7382 is at 1.295799 -.344365 5.962127 ESP Fit Center 7383 is at 1.601191 -.038973 5.962127 ESP Fit Center 7384 is at 2.104400 .378200 5.799992 ESP Fit Center 7385 is at 2.030477 .797439 5.799992 ESP Fit Center 7386 is at 1.817624 1.166112 5.799992 ESP Fit Center 7387 is at 1.491513 1.439752 5.799992 ESP Fit Center 7388 is at 1.091479 1.585352 5.799992 ESP Fit Center 7389 is at .665772 1.585352 5.799992 ESP Fit Center 7390 is at .265739 1.439752 5.799992 ESP Fit Center 7391 is at .665772 -.828952 5.799992 ESP Fit Center 7392 is at 1.091479 -.828952 5.799992 ESP Fit Center 7393 is at 1.491513 -.683352 5.799992 ESP Fit Center 7394 is at 1.817624 -.409713 5.799992 ESP Fit Center 7395 is at 2.030477 -.041040 5.799992 ESP Fit Center 7396 is at 2.465646 .378200 5.578620 ESP Fit Center 7397 is at 2.411570 .788951 5.578620 ESP Fit Center 7398 is at 2.253026 1.171710 5.578620 ESP Fit Center 7399 is at .085116 1.752600 5.578620 ESP Fit Center 7400 is at .467875 -1.154744 5.578620 ESP Fit Center 7401 is at .878626 -1.208820 5.578620 ESP Fit Center 7402 is at 2.411570 -.032551 5.578620 ESP Fit Center 7403 is at 2.787814 .378200 5.303462 ESP Fit Center 7404 is at 2.739947 .803034 5.303462 ESP Fit Center 7405 is at -.311733 1.870863 5.303462 ESP Fit Center 7406 is at .453792 -1.483121 5.303462 ESP Fit Center 7407 is at 3.023498 .791590 4.981294 ESP Fit Center 7408 is at -1.442212 1.757950 3.394274 ESP Fit Center 7409 is at -1.497473 1.588883 2.971901 ESP Fit Center 7410 is at -1.657612 1.202274 2.971901 ESP Fit Center 7411 is at -1.007057 -1.507483 2.971901 ESP Fit Center 7412 is at -1.550093 1.211980 2.559928 ESP Fit Center 7413 is at -1.654204 .800855 2.559928 ESP Fit Center 7414 is at -1.689227 .378200 2.559928 ESP Fit Center 7415 is at -1.654204 -.044455 2.559928 ESP Fit Center 7416 is at -1.550093 -.455580 2.559928 ESP Fit Center 7417 is at -1.379733 -.843963 2.559928 ESP Fit Center 7418 is at -1.147771 -1.199008 2.559928 ESP Fit Center 7419 is at -.860533 -1.511031 2.559928 ESP Fit Center 7420 is at -1.527092 .378200 2.168500 ESP Fit Center 7421 is at -1.490543 -.039549 2.168500 ESP Fit Center 7422 is at -1.382009 -.444604 2.168500 ESP Fit Center 7423 is at -1.204787 -.824659 2.168500 ESP Fit Center 7424 is at -.964261 -1.168166 2.168500 ESP Fit Center 7425 is at -.838386 -.972073 1.807254 ESP Fit Center 7426 is at -.614038 -.812160 1.485086 ESP Fit Center 7427 is at 1.666005 1.668054 5.688180 ESP Fit Center 7428 is at 1.454819 2.033840 5.688180 ESP Fit Center 7429 is at 1.032445 2.033840 5.688180 ESP Fit Center 7430 is at 2.077978 1.668054 5.589275 ESP Fit Center 7431 is at 1.966197 2.085227 5.589275 ESP Fit Center 7432 is at 1.660805 2.390619 5.589275 ESP Fit Center 7433 is at 1.243632 2.502400 5.589275 ESP Fit Center 7434 is at .826459 2.390619 5.589275 ESP Fit Center 7435 is at .521067 2.085227 5.589275 ESP Fit Center 7436 is at 2.469406 1.668054 5.427140 ESP Fit Center 7437 is at 2.395483 2.087293 5.427140 ESP Fit Center 7438 is at 2.182630 2.455966 5.427140 ESP Fit Center 7439 is at 1.856519 2.729606 5.427140 ESP Fit Center 7440 is at 1.456485 2.875206 5.427140 ESP Fit Center 7441 is at 1.030779 2.875206 5.427140 ESP Fit Center 7442 is at .091781 2.087293 5.427140 ESP Fit Center 7443 is at 2.830652 1.668054 5.205768 ESP Fit Center 7444 is at 2.776576 2.078805 5.205768 ESP Fit Center 7445 is at 2.618032 2.461564 5.205768 ESP Fit Center 7446 is at 2.365825 2.790247 5.205768 ESP Fit Center 7447 is at 2.037142 3.042454 5.205768 ESP Fit Center 7448 is at 1.654383 3.200998 5.205768 ESP Fit Center 7449 is at -.289312 2.078805 5.205768 ESP Fit Center 7450 is at 2.776576 1.257303 5.205768 ESP Fit Center 7451 is at 3.152820 1.668054 4.930610 ESP Fit Center 7452 is at 3.104953 2.092888 4.930610 ESP Fit Center 7453 is at 2.963751 2.496420 4.930610 ESP Fit Center 7454 is at 2.736296 2.858413 4.930610 ESP Fit Center 7455 is at 2.433991 3.160717 4.930610 ESP Fit Center 7456 is at 1.668466 3.529375 4.930610 ESP Fit Center 7457 is at 3.104953 1.243220 4.930610 ESP Fit Center 7458 is at -1.448446 1.874737 3.021422 ESP Fit Center 7459 is at 3.598899 1.866837 4.661936 ESP Fit Center 7460 is at 3.524976 2.286076 4.661936 ESP Fit Center 7461 is at 3.312123 2.654749 4.661936 ESP Fit Center 7462 is at 3.312123 1.078924 4.661936 ESP Fit Center 7463 is at 3.524976 1.447597 4.661936 ESP Fit Center 7464 is at 3.960145 1.866837 4.440564 ESP Fit Center 7465 is at 3.906069 2.277588 4.440564 ESP Fit Center 7466 is at 3.747525 2.660347 4.440564 ESP Fit Center 7467 is at 3.906069 1.456086 4.440564 ESP Fit Center 7468 is at 4.282313 1.866837 4.165406 ESP Fit Center 7469 is at 4.234446 2.291671 4.165406 ESP Fit Center 7470 is at 4.093244 2.695203 4.165406 ESP Fit Center 7471 is at 4.517997 2.280227 3.843238 ESP Fit Center 7472 is at 4.742294 2.284585 3.481992 ESP Fit Center 7473 is at 4.320271 3.269486 4.023125 ESP Fit Center 7474 is at 4.266195 2.858735 4.023125 ESP Fit Center 7475 is at 4.642439 3.269486 3.747967 ESP Fit Center 7476 is at 4.594572 2.844652 3.747967 ESP Fit Center 7477 is at 4.917597 3.269486 3.425799 ESP Fit Center 7478 is at 4.878123 3.682876 3.425799 ESP Fit Center 7479 is at 4.761128 2.457647 3.425799 ESP Fit Center 7480 is at 4.878123 2.856096 3.425799 ESP Fit Center 7481 is at 5.138969 3.269486 3.064553 ESP Fit Center 7482 is at 5.102420 3.687234 3.064553 ESP Fit Center 7483 is at 4.993886 4.092290 3.064553 ESP Fit Center 7484 is at 4.993886 2.446682 3.064553 ESP Fit Center 7485 is at 5.102420 2.851737 3.064553 ESP Fit Center 7486 is at 5.301104 3.269486 2.673125 ESP Fit Center 7487 is at 5.266081 3.692141 2.673125 ESP Fit Center 7488 is at 5.161970 4.103266 2.673125 ESP Fit Center 7489 is at 4.991610 4.491649 2.673125 ESP Fit Center 7490 is at 5.161970 2.435706 2.673125 ESP Fit Center 7491 is at 5.266081 2.846831 2.673125 ESP Fit Center 7492 is at .197013 4.093560 1.416406 ESP Fit Center 7493 is at .474892 4.491649 1.004433 ESP Fit Center 7494 is at .304532 4.103266 1.004433 ESP Fit Center 7495 is at 1.186886 5.112372 .613005 ESP Fit Center 7496 is at .890364 4.815851 .613005 ESP Fit Center 7497 is at .649838 4.472345 .613005 ESP Fit Center 7498 is at .472616 4.092290 .613005 ESP Fit Center 7499 is at .791727 4.270411 .251759 ESP Fit Center 7500 is at 5.546616 3.401982 2.258029 ESP Fit Center 7501 is at 5.507142 3.815372 2.258029 ESP Fit Center 7502 is at 5.390147 4.213821 2.258029 ESP Fit Center 7503 is at 5.199859 4.582928 2.258029 ESP Fit Center 7504 is at 4.943155 4.909353 2.258029 ESP Fit Center 7505 is at 5.390147 2.590143 2.258029 ESP Fit Center 7506 is at 5.507142 2.988592 2.258029 ESP Fit Center 7507 is at 5.767988 3.401982 1.896783 ESP Fit Center 7508 is at 5.731439 3.819730 1.896783 ESP Fit Center 7509 is at 5.622905 4.224786 1.896783 ESP Fit Center 7510 is at 5.445683 4.604841 1.896783 ESP Fit Center 7511 is at 5.205157 4.948347 1.896783 ESP Fit Center 7512 is at 4.908635 5.244868 1.896783 ESP Fit Center 7513 is at 5.622905 2.579178 1.896783 ESP Fit Center 7514 is at 5.731439 2.984233 1.896783 ESP Fit Center 7515 is at 5.930123 3.401982 1.505355 ESP Fit Center 7516 is at 5.895100 3.824637 1.505355 ESP Fit Center 7517 is at 5.790989 4.235762 1.505355 ESP Fit Center 7518 is at 5.620629 4.624145 1.505355 ESP Fit Center 7519 is at 5.388667 4.979190 1.505355 ESP Fit Center 7520 is at 5.790989 2.568202 1.505355 ESP Fit Center 7521 is at 5.895100 2.979327 1.505355 ESP Fit Center 7522 is at 6.029029 3.401982 1.093382 ESP Fit Center 7523 is at 5.996196 3.819155 1.093382 ESP Fit Center 7524 is at 5.898508 4.226056 1.093382 ESP Fit Center 7525 is at 5.738369 4.612665 1.093382 ESP Fit Center 7526 is at 5.519723 4.969463 1.093382 ESP Fit Center 7527 is at 5.738369 2.191299 1.093382 ESP Fit Center 7528 is at 5.898508 2.577908 1.093382 ESP Fit Center 7529 is at 5.996196 2.984809 1.093382 ESP Fit Center 7530 is at 6.062270 3.401982 .671009 ESP Fit Center 7531 is at 6.030627 3.814135 .671009 ESP Fit Center 7532 is at 5.936440 4.216627 .671009 ESP Fit Center 7533 is at 5.781917 4.600025 .671009 ESP Fit Center 7534 is at 5.781917 2.203938 .671009 ESP Fit Center 7535 is at 5.936440 2.587336 .671009 ESP Fit Center 7536 is at 6.030627 2.989829 .671009 ESP Fit Center 7537 is at 6.029029 3.401982 .248636 ESP Fit Center 7538 is at 5.996196 3.819155 .248636 ESP Fit Center 7539 is at 5.898508 4.226056 .248636 ESP Fit Center 7540 is at 5.738369 4.612665 .248636 ESP Fit Center 7541 is at 1.476587 5.287665 .248636 ESP Fit Center 7542 is at 1.204817 4.969463 .248636 ESP Fit Center 7543 is at .986171 4.612665 .248636 ESP Fit Center 7544 is at 5.738369 2.191299 .248636 ESP Fit Center 7545 is at 5.898508 2.577908 .248636 ESP Fit Center 7546 is at 5.996196 2.984809 .248636 ESP Fit Center 7547 is at 5.930123 3.401982 -.163337 ESP Fit Center 7548 is at 5.895100 3.824637 -.163337 ESP Fit Center 7549 is at 5.790989 4.235762 -.163337 ESP Fit Center 7550 is at 5.620629 4.624145 -.163337 ESP Fit Center 7551 is at 1.623111 5.291212 -.163337 ESP Fit Center 7552 is at 1.335874 4.979190 -.163337 ESP Fit Center 7553 is at 1.103911 4.624145 -.163337 ESP Fit Center 7554 is at .933551 4.235762 -.163337 ESP Fit Center 7555 is at .829440 3.824637 -.163337 ESP Fit Center 7556 is at 5.790989 2.568202 -.163337 ESP Fit Center 7557 is at 5.895100 2.979327 -.163337 ESP Fit Center 7558 is at 5.767988 3.401982 -.554765 ESP Fit Center 7559 is at 5.731439 3.819730 -.554765 ESP Fit Center 7560 is at 5.622905 4.224786 -.554765 ESP Fit Center 7561 is at 1.815905 5.244868 -.554765 ESP Fit Center 7562 is at 1.519383 4.948347 -.554765 ESP Fit Center 7563 is at 1.278857 4.604841 -.554765 ESP Fit Center 7564 is at 1.101635 4.224786 -.554765 ESP Fit Center 7565 is at .993101 3.819730 -.554765 ESP Fit Center 7566 is at 5.731439 2.984233 -.554765 ESP Fit Center 7567 is at 5.546616 3.401982 -.916011 ESP Fit Center 7568 is at 5.507142 3.815372 -.916011 ESP Fit Center 7569 is at 5.390147 4.213821 -.916011 ESP Fit Center 7570 is at 1.931828 5.052800 -.916011 ESP Fit Center 7571 is at 1.645258 4.752255 -.916011 ESP Fit Center 7572 is at 1.420746 4.402907 -.916011 ESP Fit Center 7573 is at 1.266405 4.017383 -.916011 ESP Fit Center 7574 is at 1.187815 3.609617 -.916011 ESP Fit Center 7575 is at 1.187815 3.194347 -.916011 ESP Fit Center 7576 is at 5.223591 3.826816 -1.238179 ESP Fit Center 7577 is at 5.082389 4.230348 -1.238179 ESP Fit Center 7578 is at 2.171911 4.894645 -1.238179 ESP Fit Center 7579 is at 1.869606 4.592341 -1.238179 ESP Fit Center 7580 is at 1.642151 4.230348 -1.238179 ESP Fit Center 7581 is at 1.500949 3.826816 -1.238179 ESP Fit Center 7582 is at 1.453082 3.401982 -1.238179 ESP Fit Center 7583 is at 4.736670 4.195492 -1.513337 ESP Fit Center 7584 is at 2.568760 4.776382 -1.513337 ESP Fit Center 7585 is at 2.240077 4.524175 -1.513337 ESP Fit Center 7586 is at 1.987870 4.195492 -1.513337 ESP Fit Center 7587 is at 3.149417 4.609134 -1.734709 ESP Fit Center 7588 is at 2.749383 4.463534 -1.734709 ESP Fit Center 7589 is at 2.459882 4.178976 5.104880 ESP Fit Center 7590 is at 2.874660 4.178976 5.070510 ESP Fit Center 7591 is at 2.667271 4.538184 5.070510 ESP Fit Center 7592 is at 2.252493 4.538184 5.070510 ESP Fit Center 7593 is at 2.045104 4.178976 5.070510 ESP Fit Center 7594 is at 2.252493 3.819767 5.070510 ESP Fit Center 7595 is at 2.667271 3.819767 5.070510 ESP Fit Center 7596 is at 3.278125 4.178976 4.968339 ESP Fit Center 7597 is at 3.168501 4.588097 4.968339 ESP Fit Center 7598 is at 2.869003 4.887595 4.968339 ESP Fit Center 7599 is at 2.459882 4.997219 4.968339 ESP Fit Center 7600 is at 2.050761 4.887595 4.968339 ESP Fit Center 7601 is at 1.751263 4.588097 4.968339 ESP Fit Center 7602 is at 1.641639 4.178976 4.968339 ESP Fit Center 7603 is at 1.751263 3.769855 4.968339 ESP Fit Center 7604 is at 2.050761 3.470357 4.968339 ESP Fit Center 7605 is at 2.459882 3.360733 4.968339 ESP Fit Center 7606 is at 2.869003 3.470357 4.968339 ESP Fit Center 7607 is at 3.168501 3.769855 4.968339 ESP Fit Center 7608 is at 3.659269 4.178976 4.801154 ESP Fit Center 7609 is at 3.586938 4.589191 4.801154 ESP Fit Center 7610 is at 3.378666 4.949927 4.801154 ESP Fit Center 7611 is at 3.059576 5.217676 4.801154 ESP Fit Center 7612 is at 2.668153 5.360142 4.801154 ESP Fit Center 7613 is at 2.251611 5.360142 4.801154 ESP Fit Center 7614 is at 1.860188 5.217676 4.801154 ESP Fit Center 7615 is at 1.541098 4.949927 4.801154 ESP Fit Center 7616 is at 1.332827 4.589191 4.801154 ESP Fit Center 7617 is at 1.260495 4.178976 4.801154 ESP Fit Center 7618 is at 3.059576 3.140276 4.801154 ESP Fit Center 7619 is at 3.378666 3.408025 4.801154 ESP Fit Center 7620 is at 3.586938 3.768761 4.801154 ESP Fit Center 7621 is at 4.007698 4.178976 4.573514 ESP Fit Center 7622 is at 3.950301 4.596572 4.573514 ESP Fit Center 7623 is at 3.782366 4.983196 4.573514 ESP Fit Center 7624 is at 3.516349 5.310176 4.573514 ESP Fit Center 7625 is at 3.171978 5.553259 4.573514 ESP Fit Center 7626 is at 2.774795 5.694418 4.573514 ESP Fit Center 7627 is at 2.354255 5.723184 4.573514 ESP Fit Center 7628 is at 1.941550 5.637422 4.573514 ESP Fit Center 7629 is at 1.567287 5.443495 4.573514 ESP Fit Center 7630 is at 1.259224 5.155784 4.573514 ESP Fit Center 7631 is at 1.040208 4.795627 4.573514 ESP Fit Center 7632 is at .926482 4.389737 4.573514 ESP Fit Center 7633 is at 3.516349 3.047776 4.573514 ESP Fit Center 7634 is at 3.782366 3.374756 4.573514 ESP Fit Center 7635 is at 3.950301 3.761380 4.573514 ESP Fit Center 7636 is at 4.313906 4.178976 4.291629 ESP Fit Center 7637 is at 4.263931 4.606543 4.291629 ESP Fit Center 7638 is at 4.116699 5.011060 4.291629 ESP Fit Center 7639 is at 3.880147 5.370720 4.291629 ESP Fit Center 7640 is at 3.567029 5.666132 4.291629 ESP Fit Center 7641 is at 3.194224 5.881371 4.291629 ESP Fit Center 7642 is at 2.781830 6.004833 4.291629 ESP Fit Center 7643 is at 2.352080 6.029863 4.291629 ESP Fit Center 7644 is at 1.928142 5.955112 4.291629 ESP Fit Center 7645 is at 1.532870 5.784608 4.291629 ESP Fit Center 7646 is at 1.187573 5.527544 4.291629 ESP Fit Center 7647 is at .910867 5.197779 4.291629 ESP Fit Center 7648 is at .717669 4.813090 4.291629 ESP Fit Center 7649 is at 3.880147 2.987232 4.291629 ESP Fit Center 7650 is at 4.116699 3.346891 4.291629 ESP Fit Center 7651 is at 4.263931 3.751408 4.291629 ESP Fit Center 7652 is at 4.569542 4.178976 3.963189 ESP Fit Center 7653 is at 4.526357 4.603647 3.963189 ESP Fit Center 7654 is at 4.398570 5.010932 3.963189 ESP Fit Center 7655 is at 4.191413 5.384157 3.963189 ESP Fit Center 7656 is at 3.913368 5.708042 3.963189 ESP Fit Center 7657 is at 3.575816 5.969326 3.963189 ESP Fit Center 7658 is at 3.192578 6.157314 3.963189 ESP Fit Center 7659 is at 2.779343 6.264308 3.963189 ESP Fit Center 7660 is at 2.353030 6.285928 3.963189 ESP Fit Center 7661 is at 1.931091 6.221289 3.963189 ESP Fit Center 7662 is at 1.530800 6.073038 3.963189 ESP Fit Center 7663 is at 1.168547 5.847243 3.963189 ESP Fit Center 7664 is at .859161 5.553150 3.963189 ESP Fit Center 7665 is at .615308 5.202798 3.963189 ESP Fit Center 7666 is at .446973 4.810530 3.963189 ESP Fit Center 7667 is at 4.398570 3.347019 3.963189 ESP Fit Center 7668 is at 4.526357 3.754305 3.963189 ESP Fit Center 7669 is at 4.767631 4.178976 3.597152 ESP Fit Center 7670 is at 4.728337 4.603024 3.597152 ESP Fit Center 7671 is at 4.611794 5.012631 3.597152 ESP Fit Center 7672 is at 4.421970 5.393849 3.597152 ESP Fit Center 7673 is at 4.165329 5.733696 3.597152 ESP Fit Center 7674 is at 3.850611 6.020599 3.597152 ESP Fit Center 7675 is at 3.488534 6.244788 3.597152 ESP Fit Center 7676 is at 3.091427 6.398628 3.597152 ESP Fit Center 7677 is at 2.672814 6.476880 3.597152 ESP Fit Center 7678 is at 2.246950 6.476880 3.597152 ESP Fit Center 7679 is at 1.828337 6.398628 3.597152 ESP Fit Center 7680 is at 1.431230 6.244788 3.597152 ESP Fit Center 7681 is at 1.069153 6.020599 3.597152 ESP Fit Center 7682 is at .754435 5.733696 3.597152 ESP Fit Center 7683 is at .497794 5.393849 3.597152 ESP Fit Center 7684 is at .307970 5.012631 3.597152 ESP Fit Center 7685 is at 4.728337 3.754928 3.597152 ESP Fit Center 7686 is at 4.902771 4.178976 3.203503 ESP Fit Center 7687 is at 4.865658 4.603179 3.203503 ESP Fit Center 7688 is at 4.755446 5.014493 3.203503 ESP Fit Center 7689 is at 4.575486 5.400420 3.203503 ESP Fit Center 7690 is at 4.331243 5.749234 3.203503 ESP Fit Center 7691 is at 4.030141 6.050337 3.203503 ESP Fit Center 7692 is at 3.681326 6.294580 3.203503 ESP Fit Center 7693 is at 3.295399 6.474540 3.203503 ESP Fit Center 7694 is at 2.884085 6.584752 3.203503 ESP Fit Center 7695 is at 2.459882 6.621865 3.203503 ESP Fit Center 7696 is at 2.035679 6.584752 3.203503 ESP Fit Center 7697 is at 1.624365 6.474540 3.203503 ESP Fit Center 7698 is at 1.238438 6.294580 3.203503 ESP Fit Center 7699 is at .889623 6.050337 3.203503 ESP Fit Center 7700 is at .588521 5.749234 3.203503 ESP Fit Center 7701 is at .344278 5.400420 3.203503 ESP Fit Center 7702 is at .164318 5.014493 3.203503 ESP Fit Center 7703 is at .054106 4.603179 3.203503 ESP Fit Center 7704 is at 4.935151 4.603403 2.792980 ESP Fit Center 7705 is at 4.827818 5.015621 2.792980 ESP Fit Center 7706 is at 4.652363 5.403770 2.792980 ESP Fit Center 7707 is at 4.413836 5.756683 2.792980 ESP Fit Center 7708 is at 4.119096 6.064209 2.792980 ESP Fit Center 7709 is at 3.776624 6.317500 2.792980 ESP Fit Center 7710 is at 3.396271 6.509270 2.792980 ESP Fit Center 7711 is at 2.988980 6.634001 2.792980 ESP Fit Center 7712 is at 2.566469 6.688106 2.792980 ESP Fit Center 7713 is at 2.140890 6.670028 2.792980 ESP Fit Center 7714 is at 1.724489 6.580286 2.792980 ESP Fit Center 7715 is at 1.329244 6.421464 2.792980 ESP Fit Center 7716 is at .966524 6.198129 2.792980 ESP Fit Center 7717 is at .646767 5.916706 2.792980 ESP Fit Center 7718 is at .379169 5.585293 2.792980 ESP Fit Center 7719 is at .171429 5.213422 2.792980 ESP Fit Center 7720 is at .029524 4.811792 2.792980 ESP Fit Center 7721 is at 4.827818 5.015621 2.376780 ESP Fit Center 7722 is at 4.652363 5.403770 2.376780 ESP Fit Center 7723 is at 4.413836 5.756683 2.376780 ESP Fit Center 7724 is at 4.119096 6.064209 2.376780 ESP Fit Center 7725 is at 3.776624 6.317500 2.376780 ESP Fit Center 7726 is at 3.396271 6.509270 2.376780 ESP Fit Center 7727 is at 2.988980 6.634001 2.376780 ESP Fit Center 7728 is at 2.566469 6.688106 2.376780 ESP Fit Center 7729 is at 2.140890 6.670028 2.376780 ESP Fit Center 7730 is at 1.724489 6.580286 2.376780 ESP Fit Center 7731 is at 1.329244 6.421464 2.376780 ESP Fit Center 7732 is at .966524 6.198129 2.376780 ESP Fit Center 7733 is at .646767 5.916706 2.376780 ESP Fit Center 7734 is at .379169 5.585293 2.376780 ESP Fit Center 7735 is at .171429 5.213422 2.376780 ESP Fit Center 7736 is at .029524 4.811792 2.376780 ESP Fit Center 7737 is at -.042464 4.391957 2.376780 ESP Fit Center 7738 is at 4.331243 5.749234 1.966257 ESP Fit Center 7739 is at 4.030141 6.050337 1.966257 ESP Fit Center 7740 is at 3.681326 6.294580 1.966257 ESP Fit Center 7741 is at 3.295399 6.474540 1.966257 ESP Fit Center 7742 is at 2.884085 6.584752 1.966257 ESP Fit Center 7743 is at 2.459882 6.621865 1.966257 ESP Fit Center 7744 is at 2.035679 6.584752 1.966257 ESP Fit Center 7745 is at 1.624365 6.474540 1.966257 ESP Fit Center 7746 is at 1.238438 6.294580 1.966257 ESP Fit Center 7747 is at .889623 6.050337 1.966257 ESP Fit Center 7748 is at .588521 5.749234 1.966257 ESP Fit Center 7749 is at .344278 5.400420 1.966257 ESP Fit Center 7750 is at .164318 5.014493 1.966257 ESP Fit Center 7751 is at .054106 4.603179 1.966257 ESP Fit Center 7752 is at .016993 4.178976 1.966257 ESP Fit Center 7753 is at 3.488534 6.244788 1.572607 ESP Fit Center 7754 is at 3.091427 6.398628 1.572607 ESP Fit Center 7755 is at 2.672814 6.476880 1.572607 ESP Fit Center 7756 is at 2.246950 6.476880 1.572607 ESP Fit Center 7757 is at 1.828337 6.398628 1.572607 ESP Fit Center 7758 is at 1.431230 6.244788 1.572607 ESP Fit Center 7759 is at 1.069153 6.020599 1.572607 ESP Fit Center 7760 is at .754435 5.733696 1.572607 ESP Fit Center 7761 is at .497794 5.393849 1.572607 ESP Fit Center 7762 is at .307970 5.012631 1.572607 ESP Fit Center 7763 is at .191427 4.603024 1.572607 ESP Fit Center 7764 is at .152133 4.178976 1.572607 ESP Fit Center 7765 is at 2.779343 6.264308 1.206571 ESP Fit Center 7766 is at 2.353030 6.285928 1.206571 ESP Fit Center 7767 is at 1.931091 6.221289 1.206571 ESP Fit Center 7768 is at 1.530800 6.073038 1.206571 ESP Fit Center 7769 is at 1.168547 5.847243 1.206571 ESP Fit Center 7770 is at .859161 5.553150 1.206571 ESP Fit Center 7771 is at .615308 5.202798 1.206571 ESP Fit Center 7772 is at .446973 4.810530 1.206571 ESP Fit Center 7773 is at 1.928142 5.955112 .878130 ESP Fit Center 7774 is at 1.532870 5.784608 .878130 ESP Fit Center 7775 is at 1.187573 5.527544 .878130 ESP Fit Center 7776 is at .910867 5.197779 .878130 ESP Fit Center 7777 is at .717669 4.813090 .878130 ESP Fit Center 7778 is at 1.567287 5.443495 .596246 ESP Fit Center 7779 is at 3.972695 .769727 4.479294 ESP Fit Center 7780 is at 3.860914 1.186900 4.479294 ESP Fit Center 7781 is at 4.364123 .769727 4.317159 ESP Fit Center 7782 is at 4.290200 1.188966 4.317159 ESP Fit Center 7783 is at 4.725369 .769727 4.095787 ESP Fit Center 7784 is at 4.671293 1.180478 4.095787 ESP Fit Center 7785 is at 4.512749 1.563237 4.095787 ESP Fit Center 7786 is at 5.047537 .769727 3.820629 ESP Fit Center 7787 is at 4.999670 1.194561 3.820629 ESP Fit Center 7788 is at 4.858468 1.598093 3.820629 ESP Fit Center 7789 is at 4.631012 1.960086 3.820629 ESP Fit Center 7790 is at 4.999670 .344893 3.820629 ESP Fit Center 7791 is at 5.322695 .769727 3.498461 ESP Fit Center 7792 is at 5.283221 1.183117 3.498461 ESP Fit Center 7793 is at 5.166226 1.581566 3.498461 ESP Fit Center 7794 is at 4.975938 1.950673 3.498461 ESP Fit Center 7795 is at 5.544067 .769727 3.137215 ESP Fit Center 7796 is at 5.507518 1.187475 3.137215 ESP Fit Center 7797 is at 5.398984 1.592531 3.137215 ESP Fit Center 7798 is at 5.221762 1.972586 3.137215 ESP Fit Center 7799 is at 4.981236 2.316092 3.137215 ESP Fit Center 7800 is at 5.671179 1.192382 2.745787 ESP Fit Center 7801 is at 5.567068 1.603507 2.745787 ESP Fit Center 7802 is at 5.396708 1.991890 2.745787 ESP Fit Center 7803 is at 5.164745 2.346935 2.745787 ESP Fit Center 7804 is at 5.295802 2.337208 2.333814 ESP Fit Center 7805 is at 5.324297 -1.309601 4.171268 ESP Fit Center 7806 is at 5.116908 -.950393 4.171268 ESP Fit Center 7807 is at 5.727762 -1.309601 4.069097 ESP Fit Center 7808 is at 5.618138 -.900480 4.069097 ESP Fit Center 7809 is at 5.318640 -.600982 4.069097 ESP Fit Center 7810 is at 4.909519 -.491358 4.069097 ESP Fit Center 7811 is at 5.318640 -2.018220 4.069097 ESP Fit Center 7812 is at 5.618138 -1.718722 4.069097 ESP Fit Center 7813 is at 6.108906 -1.309601 3.901912 ESP Fit Center 7814 is at 6.036574 -.899386 3.901912 ESP Fit Center 7815 is at 5.828303 -.538650 3.901912 ESP Fit Center 7816 is at 5.509213 -.270901 3.901912 ESP Fit Center 7817 is at 5.117790 -.128435 3.901912 ESP Fit Center 7818 is at 5.509213 -2.348301 3.901912 ESP Fit Center 7819 is at 5.828303 -2.080553 3.901912 ESP Fit Center 7820 is at 6.036574 -1.719816 3.901912 ESP Fit Center 7821 is at 6.457335 -1.309601 3.674272 ESP Fit Center 7822 is at 6.399938 -.892005 3.674272 ESP Fit Center 7823 is at 6.232003 -.505381 3.674272 ESP Fit Center 7824 is at 5.965986 -.178402 3.674272 ESP Fit Center 7825 is at 5.621615 .064682 3.674272 ESP Fit Center 7826 is at 5.224431 .205841 3.674272 ESP Fit Center 7827 is at 5.621615 -2.683884 3.674272 ESP Fit Center 7828 is at 5.965986 -2.440801 3.674272 ESP Fit Center 7829 is at 6.232003 -2.113822 3.674272 ESP Fit Center 7830 is at 6.399938 -1.727197 3.674272 ESP Fit Center 7831 is at 6.763543 -1.309601 3.392387 ESP Fit Center 7832 is at 6.713568 -.882034 3.392387 ESP Fit Center 7833 is at 6.566336 -.477517 3.392387 ESP Fit Center 7834 is at 6.329784 -.117857 3.392387 ESP Fit Center 7835 is at 6.016665 .177555 3.392387 ESP Fit Center 7836 is at 5.643860 .392794 3.392387 ESP Fit Center 7837 is at 5.643860 -3.011996 3.392387 ESP Fit Center 7838 is at 6.016665 -2.796757 3.392387 ESP Fit Center 7839 is at 6.329784 -2.501345 3.392387 ESP Fit Center 7840 is at 6.566336 -2.141686 3.392387 ESP Fit Center 7841 is at 6.713568 -1.737169 3.392387 ESP Fit Center 7842 is at 7.019178 -1.309601 3.063947 ESP Fit Center 7843 is at 6.975994 -.884930 3.063947 ESP Fit Center 7844 is at 6.848207 -.477645 3.063947 ESP Fit Center 7845 is at 6.641050 -.104420 3.063947 ESP Fit Center 7846 is at 6.363005 .219465 3.063947 ESP Fit Center 7847 is at 6.025453 .480749 3.063947 ESP Fit Center 7848 is at 5.642215 .668737 3.063947 ESP Fit Center 7849 is at 5.642215 -3.287939 3.063947 ESP Fit Center 7850 is at 6.025453 -3.099952 3.063947 ESP Fit Center 7851 is at 6.363005 -2.838667 3.063947 ESP Fit Center 7852 is at 6.641050 -2.514783 3.063947 ESP Fit Center 7853 is at 6.848207 -2.141558 3.063947 ESP Fit Center 7854 is at 6.975994 -1.734272 3.063947 ESP Fit Center 7855 is at 7.217268 -1.309601 2.697910 ESP Fit Center 7856 is at 7.177974 -.885553 2.697910 ESP Fit Center 7857 is at 7.061431 -.475946 2.697910 ESP Fit Center 7858 is at 6.871606 -.094728 2.697910 ESP Fit Center 7859 is at 6.614966 .245119 2.697910 ESP Fit Center 7860 is at 6.300248 .532022 2.697910 ESP Fit Center 7861 is at 5.938171 .756211 2.697910 ESP Fit Center 7862 is at 6.300248 -3.151224 2.697910 ESP Fit Center 7863 is at 7.061431 -2.143256 2.697910 ESP Fit Center 7864 is at 7.177974 -1.733649 2.697910 ESP Fit Center 7865 is at 7.352408 -1.309601 2.304261 ESP Fit Center 7866 is at 7.315295 -.885398 2.304261 ESP Fit Center 7867 is at 7.205083 -.474084 2.304261 ESP Fit Center 7868 is at 7.025123 -.088157 2.304261 ESP Fit Center 7869 is at 6.780880 .260657 2.304261 ESP Fit Center 7870 is at 6.479777 .561760 2.304261 ESP Fit Center 7871 is at 6.130963 .806002 2.304261 ESP Fit Center 7872 is at 7.277455 -.472956 1.893738 ESP Fit Center 7873 is at 7.102000 -.084808 1.893738 ESP Fit Center 7874 is at 6.863472 .268106 1.893738 ESP Fit Center 7875 is at 6.568733 .575632 1.893738 ESP Fit Center 7876 is at 6.226261 .828923 1.893738 ESP Fit Center 7877 is at 1.929816 -3.844119 3.241567 ESP Fit Center 7878 is at 1.011032 -3.796827 3.074382 ESP Fit Center 7879 is at 1.330122 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7898 is at -.169020 -2.812445 2.236417 ESP Fit Center 7899 is at -.169020 -3.239307 2.236417 ESP Fit Center 7900 is at -.083093 -3.657430 2.236417 ESP Fit Center 7901 is at .085242 -4.049698 2.236417 ESP Fit Center 7902 is at .329095 -4.400050 2.236417 ESP Fit Center 7903 is at .638481 -4.694144 2.236417 ESP Fit Center 7904 is at 1.000734 -4.919938 2.236417 ESP Fit Center 7905 is at 1.401024 -5.068189 2.236417 ESP Fit Center 7906 is at 1.822963 -5.132828 2.236417 ESP Fit Center 7907 is at 2.249277 -5.111208 2.236417 ESP Fit Center 7908 is at -.222096 -2.192221 1.870380 ESP Fit Center 7909 is at -.338639 -2.601828 1.870380 ESP Fit Center 7910 is at -.377933 -3.025876 1.870380 ESP Fit Center 7911 is at -.338639 -3.449924 1.870380 ESP Fit Center 7912 is at -.222096 -3.859531 1.870380 ESP Fit Center 7913 is at -.032272 -4.240749 1.870380 ESP Fit Center 7914 is at .224369 -4.580596 1.870380 ESP Fit Center 7915 is at .539087 -4.867499 1.870380 ESP Fit Center 7916 is at .901164 -5.091688 1.870380 ESP Fit Center 7917 is at 1.298270 -5.245528 1.870380 ESP Fit Center 7918 is at 1.716884 -5.323780 1.870380 ESP Fit Center 7919 is at 2.142748 -5.323780 1.870380 ESP Fit Center 7920 is at -.365749 -2.190359 1.476731 ESP Fit Center 7921 is at -.475960 -2.601673 1.476731 ESP Fit Center 7922 is at -.513073 -3.025876 1.476731 ESP Fit Center 7923 is at -.475960 -3.450079 1.476731 ESP Fit Center 7924 is at -.365749 -3.861393 1.476731 ESP Fit Center 7925 is at -.185788 -4.247320 1.476731 ESP Fit Center 7926 is at .058455 -4.596135 1.476731 ESP Fit Center 7927 is at .359557 -4.897237 1.476731 ESP Fit Center 7928 is at .708372 -5.141480 1.476731 ESP Fit Center 7929 is at 1.094299 -5.321441 1.476731 ESP Fit Center 7930 is at 1.505613 -5.431652 1.476731 ESP Fit Center 7931 is at 1.929816 -5.468765 1.476731 ESP Fit Center 7932 is at 2.354019 -5.431652 1.476731 ESP Fit Center 7933 is at -.500542 -3.658692 1.066208 ESP Fit Center 7934 is at -.358637 -4.060322 1.066208 ESP Fit Center 7935 is 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7954 is at 1.505613 -5.431652 .239485 ESP Fit Center 7955 is at 1.929816 -5.468765 .239485 ESP Fit Center 7956 is at 2.354019 -5.431652 .239485 ESP Fit Center 7957 is at .539087 -4.867499 -.154165 ESP Fit Center 7958 is at .901164 -5.091688 -.154165 ESP Fit Center 7959 is at 1.298270 -5.245528 -.154165 ESP Fit Center 7960 is at 1.716884 -5.323780 -.154165 ESP Fit Center 7961 is at 2.142748 -5.323780 -.154165 ESP Fit Center 7962 is at 1.000734 -4.919938 -.520201 ESP Fit Center 7963 is at 1.401024 -5.068189 -.520201 ESP Fit Center 7964 is at 1.822963 -5.132828 -.520201 ESP Fit Center 7965 is at 2.249277 -5.111208 -.520201 ESP Fit Center 7966 is at 1.398076 -4.802012 -.848642 ESP Fit Center 7967 is at 1.822014 -4.876764 -.848642 ESP Fit Center 7968 is at 2.251764 -4.851734 -.848642 ESP Fit Center 7969 is at 1.824189 -4.570084 -1.130526 ESP Fit Center 7970 is at 2.244728 -4.541318 -1.130526 ESP Fit Center 7971 is at 2.138087 -4.207042 -1.358166 ESP Fit Center 7972 is at 4.944064 -4.127136 3.294223 ESP Fit Center 7973 is at 4.321897 -4.486345 3.294223 ESP Fit Center 7974 is at 4.736675 -4.486345 3.294223 ESP Fit Center 7975 is at 5.347529 -4.127136 3.192052 ESP Fit Center 7976 is at 5.237905 -3.718015 3.192052 ESP Fit Center 7977 is at 3.820667 -4.536257 3.192052 ESP Fit Center 7978 is at 4.120165 -4.835755 3.192052 ESP Fit Center 7979 is at 4.529286 -4.945379 3.192052 ESP Fit Center 7980 is at 4.938407 -4.835755 3.192052 ESP Fit Center 7981 is at 5.237905 -4.536257 3.192052 ESP Fit Center 7982 is at 5.728673 -4.127136 3.024867 ESP Fit Center 7983 is at 5.656341 -3.716921 3.024867 ESP Fit Center 7984 is at 3.402230 -4.537351 3.024867 ESP Fit Center 7985 is at 3.610502 -4.898088 3.024867 ESP Fit Center 7986 is at 3.929592 -5.165836 3.024867 ESP Fit Center 7987 is at 4.321014 -5.308302 3.024867 ESP Fit Center 7988 is at 4.737557 -5.308302 3.024867 ESP Fit Center 7989 is at 5.128980 -5.165836 3.024867 ESP Fit Center 7990 is at 5.448070 -4.898088 3.024867 ESP Fit Center 7991 is at 5.656341 -4.537351 3.024867 ESP Fit Center 7992 is at 6.077102 -4.127136 2.797227 ESP Fit Center 7993 is at 6.019705 -3.709540 2.797227 ESP Fit Center 7994 is at 3.109612 -4.743788 2.797227 ESP Fit Center 7995 is at 3.328627 -5.103944 2.797227 ESP Fit Center 7996 is at 3.636691 -5.391655 2.797227 ESP Fit Center 7997 is at 4.010954 -5.585583 2.797227 ESP Fit Center 7998 is at 4.423659 -5.671344 2.797227 ESP Fit Center 7999 is at 4.844198 -5.642578 2.797227 ESP Fit Center 8000 is at 5.241382 -5.501419 2.797227 ESP Fit Center 8001 is at 5.585753 -5.258336 2.797227 ESP Fit Center 8002 is at 5.851770 -4.931357 2.797227 ESP Fit Center 8003 is at 6.019705 -4.544732 2.797227 ESP Fit Center 8004 is at 6.383310 -4.127136 2.515342 ESP Fit Center 8005 is at 6.333335 -3.699569 2.515342 ESP Fit Center 8006 is at 2.787073 -4.761250 2.515342 ESP Fit Center 8007 is at 2.980271 -5.145939 2.515342 ESP Fit Center 8008 is at 3.256977 -5.475705 2.515342 ESP Fit Center 8009 is at 3.602274 -5.732768 2.515342 ESP Fit Center 8010 is at 3.997546 -5.903272 2.515342 ESP Fit Center 8011 is at 4.421484 -5.978024 2.515342 ESP Fit Center 8012 is at 4.851234 -5.952994 2.515342 ESP Fit Center 8013 is at 5.263627 -5.829531 2.515342 ESP Fit Center 8014 is at 5.636432 -5.614292 2.515342 ESP Fit Center 8015 is at 5.949551 -5.318880 2.515342 ESP Fit Center 8016 is at 6.186102 -4.959221 2.515342 ESP Fit Center 8017 is at 6.333335 -4.554704 2.515342 ESP Fit Center 8018 is at 6.638945 -4.127136 2.186902 ESP Fit Center 8019 is at 2.684712 -5.150958 2.186902 ESP Fit Center 8020 is at 2.928565 -5.501310 2.186902 ESP Fit Center 8021 is at 3.237951 -5.795404 2.186902 ESP Fit Center 8022 is at 3.600204 -6.021198 2.186902 ESP Fit Center 8023 is at 4.000494 -6.169449 2.186902 ESP Fit Center 8024 is at 4.422433 -6.234088 2.186902 ESP Fit Center 8025 is at 4.848747 -6.212468 2.186902 ESP Fit Center 8026 is at 5.261982 -6.105474 2.186902 ESP Fit Center 8027 is at 5.645220 -5.917487 2.186902 ESP Fit Center 8028 is at 5.982771 -5.656202 2.186902 ESP Fit Center 8029 is at 6.260817 -5.332318 2.186902 ESP Fit Center 8030 is at 6.467974 -4.959093 2.186902 ESP Fit Center 8031 is at 6.595761 -4.551807 2.186902 ESP Fit Center 8032 is at 6.837035 -4.127136 1.820865 ESP Fit Center 8033 is at 2.567198 -5.342009 1.820865 ESP Fit Center 8034 is at 2.823839 -5.681856 1.820865 ESP Fit Center 8035 is at 3.138557 -5.968759 1.820865 ESP Fit Center 8036 is at 3.500634 -6.192948 1.820865 ESP Fit Center 8037 is at 3.897740 -6.346788 1.820865 ESP Fit Center 8038 is at 4.316354 -6.425040 1.820865 ESP Fit Center 8039 is at 4.742218 -6.425040 1.820865 ESP Fit Center 8040 is at 5.160831 -6.346788 1.820865 ESP Fit Center 8041 is at 2.657925 -5.697395 1.427216 ESP Fit Center 8042 is at 2.959027 -5.998497 1.427216 ESP Fit Center 8043 is at 3.307842 -6.242740 1.427216 ESP Fit Center 8044 is at 3.693769 -6.422701 1.427216 ESP Fit Center 8045 is at 4.105083 -6.532912 1.427216 ESP Fit Center 8046 is at 4.529286 -6.570025 1.427216 ESP Fit Center 8047 is at 4.953489 -6.532912 1.427216 ESP Fit Center 8048 is at 2.448573 -5.533453 1.016693 ESP Fit Center 8049 is at 2.716170 -5.864867 1.016693 ESP Fit Center 8050 is at 3.035928 -6.146289 1.016693 ESP Fit Center 8051 is at 3.398647 -6.369624 1.016693 ESP Fit Center 8052 is at 3.793893 -6.528447 1.016693 ESP Fit Center 8053 is at 4.210294 -6.618188 1.016693 ESP Fit Center 8054 is at 4.635872 -6.636266 1.016693 ESP Fit Center 8055 is at 2.448573 -5.533453 .600493 ESP Fit Center 8056 is at 2.716170 -5.864867 .600493 ESP Fit Center 8057 is at 3.035928 -6.146289 .600493 ESP Fit Center 8058 is at 3.398647 -6.369624 .600493 ESP Fit Center 8059 is at 3.793893 -6.528447 .600493 ESP Fit Center 8060 is at 4.210294 -6.618188 .600493 ESP Fit Center 8061 is at 2.657925 -5.697395 .189970 ESP Fit Center 8062 is at 2.959027 -5.998497 .189970 ESP Fit Center 8063 is at 3.307842 -6.242740 .189970 ESP Fit Center 8064 is at 3.693769 -6.422701 .189970 ESP Fit Center 8065 is at 4.105083 -6.532912 .189970 ESP Fit Center 8066 is at 2.567198 -5.342009 -.203680 ESP Fit Center 8067 is at 2.823839 -5.681856 -.203680 ESP Fit Center 8068 is at 3.138557 -5.968759 -.203680 ESP Fit Center 8069 is at 3.500634 -6.192948 -.203680 ESP Fit Center 8070 is at 3.897740 -6.346788 -.203680 ESP Fit Center 8071 is at 2.684712 -5.150958 -.569716 ESP Fit Center 8072 is at 2.928565 -5.501310 -.569716 ESP Fit Center 8073 is at 3.237951 -5.795404 -.569716 ESP Fit Center 8074 is at 3.600204 -6.021198 -.569716 ESP Fit Center 8075 is at 4.000494 -6.169449 -.569716 ESP Fit Center 8076 is at 2.980271 -5.145939 -.898157 ESP Fit Center 8077 is at 3.256977 -5.475705 -.898157 ESP Fit Center 8078 is at 3.602274 -5.732768 -.898157 ESP Fit Center 8079 is at 3.997546 -5.903272 -.898157 ESP Fit Center 8080 is at 3.328627 -5.103944 -1.180041 ESP Fit Center 8081 is at 3.636691 -5.391655 -1.180041 ESP Fit Center 8082 is at 4.010954 -5.585583 -1.180041 ESP Fit Center 8083 is at 7.196328 .211351 -2.554104 ESP Fit Center 8084 is at 7.159215 .635554 -2.554104 ESP Fit Center 8085 is at 7.049003 1.046868 -2.554104 ESP Fit Center 8086 is at 7.264832 .211351 -2.964627 ESP Fit Center 8087 is at 7.228708 .635778 -2.964627 ESP Fit Center 8088 is at 7.121375 1.047996 -2.964627 ESP Fit Center 8089 is at 6.945920 1.436144 -2.964627 ESP Fit Center 8090 is at 7.228708 -.213077 -2.964627 ESP Fit Center 8091 is at 7.264832 .211351 -3.380827 ESP Fit Center 8092 is at 7.228708 .635778 -3.380827 ESP Fit Center 8093 is at 7.121375 1.047996 -3.380827 ESP Fit Center 8094 is at 6.945920 1.436144 -3.380827 ESP Fit Center 8095 is at 6.707392 1.789058 -3.380827 ESP Fit Center 8096 is at 4.860025 -2.297779 -3.380827 ESP Fit Center 8097 is at 5.282537 -2.243674 -3.380827 ESP Fit Center 8098 is at 7.121375 -.625294 -3.380827 ESP Fit Center 8099 is at 7.228708 -.213077 -3.380827 ESP Fit Center 8100 is at 7.196328 .211351 -3.791350 ESP Fit Center 8101 is at 7.159215 .635554 -3.791350 ESP Fit Center 8102 is at 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Center 9054 is at -5.302420 -3.391649 -2.907015 ESP Fit Center 9055 is at -4.902386 -3.246049 -2.907015 ESP Fit Center 9056 is at -6.349619 -2.184497 -3.069150 ESP Fit Center 9057 is at -6.237838 -2.601670 -3.069150 ESP Fit Center 9058 is at -5.932446 -2.907062 -3.069150 ESP Fit Center 9059 is at -5.515273 -3.018843 -3.069150 ESP Fit Center 9060 is at -5.726460 -2.550283 -3.168056 ESP Fit Center 9061 is at -3.845107 -1.340980 1.577327 ESP Fit Center 9062 is at -3.453679 -1.340980 1.415192 ESP Fit Center 9063 is at -3.527602 -.921740 1.415192 ESP Fit Center 9064 is at -3.527602 -1.760219 1.415192 ESP Fit Center 9065 is at -3.092433 -1.340980 1.193820 ESP Fit Center 9066 is at -3.305053 -2.134490 1.193820 ESP Fit Center 9067 is at -3.146509 -1.751731 1.193820 ESP Fit Center 9068 is at -3.186790 -2.531339 .918662 ESP Fit Center 9069 is at -2.959334 -2.169346 .918662 ESP Fit Center 9070 is at -2.818132 -1.765814 .918662 ESP Fit Center 9071 is at -3.098568 -2.848351 .596494 ESP Fit Center 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1.536234 ESP Fit Center 9440 is at 7.557557 .232609 1.536234 ESP Fit Center 9441 is at 7.349174 .593539 1.536234 ESP Fit Center 9442 is at 7.029912 .861432 1.536234 ESP Fit Center 9443 is at 6.638279 1.003974 1.536234 ESP Fit Center 9444 is at 6.221513 1.003974 1.536234 ESP Fit Center 9445 is at 7.557557 -.588261 1.536234 ESP Fit Center 9446 is at 7.957247 -.177826 1.267611 ESP Fit Center 9447 is at 7.900608 .234248 1.267611 ESP Fit Center 9448 is at 7.734894 .615761 1.267611 ESP Fit Center 9449 is at 7.472394 .938417 1.267611 ESP Fit Center 9450 is at 7.132577 1.178286 1.267611 ESP Fit Center 9451 is at 6.740645 1.317579 1.267611 ESP Fit Center 9452 is at 6.325666 1.345964 1.267611 ESP Fit Center 9453 is at 7.900608 -.589900 1.267611 ESP Fit Center 9454 is at 8.225870 -.177826 .940292 ESP Fit Center 9455 is at 8.177460 .236354 .940292 ESP Fit Center 9456 is at 8.034837 .628206 .940292 ESP Fit Center 9457 is at 7.805692 .976604 .940292 ESP Fit Center 9458 is at 7.502377 1.262767 .940292 ESP Fit Center 9459 is at 7.141245 1.471266 .940292 ESP Fit Center 9460 is at 6.741764 1.590863 .940292 ESP Fit Center 9461 is at 6.325469 1.615110 .940292 ESP Fit Center 9462 is at 8.034837 -.983858 .940292 ESP Fit Center 9463 is at 8.177460 -.592006 .940292 ESP Fit Center 9464 is at 8.425476 -.177826 .566856 ESP Fit Center 9465 is at 8.381868 .237078 .566856 ESP Fit Center 9466 is at 8.252949 .633849 .566856 ESP Fit Center 9467 is at 8.044354 .995146 .566856 ESP Fit Center 9468 is at 7.765199 1.305179 .566856 ESP Fit Center 9469 is at 7.427686 1.550397 .566856 ESP Fit Center 9470 is at 7.046564 1.720083 .566856 ESP Fit Center 9471 is at 6.638491 1.806822 .566856 ESP Fit Center 9472 is at 6.221301 1.806822 .566856 ESP Fit Center 9473 is at 8.252949 -.989502 .566856 ESP Fit Center 9474 is at 8.381868 -.592731 .566856 ESP Fit Center 9475 is at 8.548392 -.177826 .161655 ESP Fit Center 9476 is at 8.507686 .235472 .161655 ESP Fit Center 9477 is at 8.387131 .632887 .161655 ESP Fit Center 9478 is at 8.191361 .999147 .161655 ESP Fit Center 9479 is at 7.927899 1.320177 .161655 ESP Fit Center 9480 is at 7.606869 1.583639 .161655 ESP Fit Center 9481 is at 7.240609 1.779409 .161655 ESP Fit Center 9482 is at 6.843194 1.899964 .161655 ESP Fit Center 9483 is at 6.429896 1.940670 .161655 ESP Fit Center 9484 is at 6.016598 1.899964 .161655 ESP Fit Center 9485 is at 8.191361 -1.354800 .161655 ESP Fit Center 9486 is at 8.387131 -.988540 .161655 ESP Fit Center 9487 is at 8.507686 -.591124 .161655 ESP Fit Center 9488 is at 8.589896 -.177826 -.259740 ESP Fit Center 9489 is at 8.550862 .230957 -.259740 ESP Fit Center 9490 is at 8.435171 .624965 -.259740 ESP Fit Center 9491 is at 8.247004 .989958 -.259740 ESP Fit Center 9492 is at 7.993161 1.312744 -.259740 ESP Fit Center 9493 is at 7.682819 1.581658 -.259740 ESP Fit Center 9494 is at 7.327192 1.786979 -.259740 ESP Fit Center 9495 is at 6.939135 1.921287 -.259740 ESP Fit Center 9496 is at 6.532673 1.979727 -.259740 ESP Fit Center 9497 is at 8.247004 -1.345610 -.259740 ESP Fit Center 9498 is at 8.435171 -.980617 -.259740 ESP Fit Center 9499 is at 8.550862 -.586609 -.259740 ESP Fit Center 9500 is at 8.548392 -.177826 -.681135 ESP Fit Center 9501 is at 8.507686 .235472 -.681135 ESP Fit Center 9502 is at 8.387131 .632887 -.681135 ESP Fit Center 9503 is at 8.191361 .999147 -.681135 ESP Fit Center 9504 is at 7.927899 1.320177 -.681135 ESP Fit Center 9505 is at 7.606869 1.583639 -.681135 ESP Fit Center 9506 is at 7.240609 1.779409 -.681135 ESP Fit Center 9507 is at 6.843194 1.899964 -.681135 ESP Fit Center 9508 is at 8.387131 -.988540 -.681135 ESP Fit Center 9509 is at 8.507686 -.591124 -.681135 ESP Fit Center 9510 is at 8.425476 -.177826 -1.086336 ESP Fit Center 9511 is at 8.381868 .237078 -1.086336 ESP Fit Center 9512 is at 8.252949 .633849 -1.086336 ESP Fit Center 9513 is at 8.044354 .995146 -1.086336 ESP Fit Center 9514 is at 7.765199 1.305179 -1.086336 ESP Fit Center 9515 is at 7.427686 1.550397 -1.086336 ESP Fit Center 9516 is at 7.046564 1.720083 -1.086336 ESP Fit Center 9517 is at 8.252949 -.989502 -1.086336 ESP Fit Center 9518 is at 8.381868 -.592731 -1.086336 ESP Fit Center 9519 is at 8.225870 -.177826 -1.459772 ESP Fit Center 9520 is at 8.177460 .236354 -1.459772 ESP Fit Center 9521 is at 8.034837 .628206 -1.459772 ESP Fit Center 9522 is at 7.805692 .976604 -1.459772 ESP Fit Center 9523 is at 7.502377 1.262767 -1.459772 ESP Fit Center 9524 is at 7.141245 1.471266 -1.459772 ESP Fit Center 9525 is at 8.177460 -.592006 -1.459772 ESP Fit Center 9526 is at 7.957247 -.177826 -1.787091 ESP Fit Center 9527 is at 7.900608 .234248 -1.787091 ESP Fit Center 9528 is at 7.734894 .615761 -1.787091 ESP Fit Center 9529 is at 7.472394 .938417 -1.787091 ESP Fit Center 9530 is at 7.132577 1.178286 -1.787091 ESP Fit Center 9531 is at 6.742155 -3.184090 -1.544161 ESP Fit Center 9532 is at 7.097782 -2.978769 -1.544161 ESP Fit Center 9533 is at 7.408124 -2.709856 -1.544161 ESP Fit Center 9534 is at 7.661967 -2.387069 -1.544161 ESP Fit Center 9535 is at 7.850134 -2.022076 -1.544161 ESP Fit Center 9536 is at 7.963355 -1.219285 -1.965556 ESP Fit Center 9537 is at 7.922649 -.805987 -1.965556 ESP Fit Center 9538 is at 6.258157 -3.297075 -1.965556 ESP Fit Center 9539 is at 6.655572 -3.176520 -1.965556 ESP Fit Center 9540 is at 7.021832 -2.980750 -1.965556 ESP Fit Center 9541 is at 7.342862 -2.717288 -1.965556 ESP Fit Center 9542 is at 7.606324 -2.396259 -1.965556 ESP Fit Center 9543 is at 7.802094 -2.029999 -1.965556 ESP Fit Center 9544 is at 7.922649 -1.632583 -1.965556 ESP Fit Center 9545 is at 7.840439 -1.219285 -2.370757 ESP Fit Center 9546 is at 7.796831 -.804381 -2.370757 ESP Fit Center 9547 is at 7.667912 -.407610 -2.370757 ESP Fit Center 9548 is at 6.053454 -3.203933 -2.370757 ESP Fit Center 9549 is at 6.461527 -3.117194 -2.370757 ESP Fit Center 9550 is at 6.842649 -2.947508 -2.370757 ESP Fit Center 9551 is at 7.180162 -2.702290 -2.370757 ESP Fit Center 9552 is at 7.459317 -2.392258 -2.370757 ESP Fit Center 9553 is at 7.667912 -2.030961 -2.370757 ESP Fit Center 9554 is at 7.796831 -1.634190 -2.370757 ESP Fit Center 9555 is at 7.640833 -1.219285 -2.744193 ESP Fit Center 9556 is at 7.592423 -.805105 -2.744193 ESP Fit Center 9557 is at 7.449800 -.413253 -2.744193 ESP Fit Center 9558 is at 5.740432 -3.012221 -2.744193 ESP Fit Center 9559 is at 6.156727 -2.987975 -2.744193 ESP Fit Center 9560 is at 6.556208 -2.868378 -2.744193 ESP Fit Center 9561 is at 6.917340 -2.659878 -2.744193 ESP Fit Center 9562 is at 7.220655 -2.373715 -2.744193 ESP Fit Center 9563 is at 7.449800 -2.025317 -2.744193 ESP Fit Center 9564 is at 7.592423 -1.633465 -2.744193 ESP Fit Center 9565 is at 7.372210 -1.219285 -3.071512 ESP Fit Center 9566 is at 7.315571 -.807211 -3.071512 ESP Fit Center 9567 is at 4.964066 -2.467085 -3.071512 ESP Fit Center 9568 is at 5.333380 -2.658448 -3.071512 ESP Fit Center 9569 is at 5.740629 -2.743075 -3.071512 ESP Fit Center 9570 is at 6.155608 -2.714690 -3.071512 ESP Fit Center 9571 is at 6.547540 -2.575397 -3.071512 ESP Fit Center 9572 is at 6.887357 -2.335528 -3.071512 ESP Fit Center 9573 is at 7.149857 -2.012872 -3.071512 ESP Fit Center 9574 is at 7.315571 -1.631359 -3.071512 ESP Fit Center 9575 is at 7.044891 -1.219285 -3.340135 ESP Fit Center 9576 is at 5.244843 -2.258543 -3.340135 ESP Fit Center 9577 is at 5.636476 -2.401086 -3.340135 ESP Fit Center 9578 is at 6.053242 -2.401086 -3.340135 ESP Fit Center 9579 is at 6.444875 -2.258543 -3.340135 ESP Fit Center 9580 is at 6.764137 -1.990651 -3.340135 ESP Fit Center 9581 is at 6.972520 -1.629720 -3.340135 ESP Fit Center 9582 is at 5.844859 -2.045881 -3.539741 ESP Fit Center 9583 is at 6.258157 -1.935138 -3.539741 ESP Fit Center 9584 is at 6.560712 -1.632583 -3.539741 ESP Fit Center 9585 is at 7.138965 -2.364889 2.652360 ESP Fit Center 9586 is at 6.312369 -3.191485 2.652360 ESP Fit Center 9587 is at 6.725667 -3.080743 2.652360 ESP Fit Center 9588 is at 7.028222 -2.778187 2.652360 ESP Fit Center 9589 is at 7.512401 -2.364889 2.452754 ESP Fit Center 9590 is at 7.440030 -1.954454 2.452754 ESP Fit Center 9591 is at 6.520752 -3.546690 2.452754 ESP Fit Center 9592 is at 6.912385 -3.404147 2.452754 ESP Fit Center 9593 is at 7.231647 -3.136255 2.452754 ESP Fit Center 9594 is at 7.440030 -2.775324 2.452754 ESP Fit Center 9595 is at 7.839720 -2.364889 2.184131 ESP Fit Center 9596 is at 7.783081 -1.952815 2.184131 ESP Fit Center 9597 is at 7.617367 -1.571302 2.184131 ESP Fit Center 9598 is at 7.015050 -3.721001 2.184131 ESP Fit Center 9599 is at 7.354867 -3.481132 2.184131 ESP Fit Center 9600 is at 7.617367 -3.158476 2.184131 ESP Fit Center 9601 is at 7.783081 -2.776963 2.184131 ESP Fit Center 9602 is at 8.108343 -2.364889 1.856812 ESP Fit Center 9603 is at 8.059933 -1.950709 1.856812 ESP Fit Center 9604 is at 7.917310 -1.558857 1.856812 ESP Fit Center 9605 is at 7.688165 -1.210459 1.856812 ESP Fit Center 9606 is at 7.023718 -4.013982 1.856812 ESP Fit Center 9607 is at 7.384850 -3.805482 1.856812 ESP Fit Center 9608 is at 7.688165 -3.519319 1.856812 ESP Fit Center 9609 is at 7.917310 -3.170921 1.856812 ESP Fit Center 9610 is at 8.059933 -2.779069 1.856812 ESP Fit Center 9611 is at 8.307949 -2.364889 1.483376 ESP Fit Center 9612 is at 8.264340 -1.949985 1.483376 ESP Fit Center 9613 is at 8.135422 -1.553214 1.483376 ESP Fit Center 9614 is at 7.926827 -1.191917 1.483376 ESP Fit Center 9615 is at 7.647672 -.881884 1.483376 ESP Fit Center 9616 is at 7.310159 -4.093112 1.483376 ESP Fit Center 9617 is at 7.647672 -3.847894 1.483376 ESP Fit Center 9618 is at 7.926827 -3.537862 1.483376 ESP Fit Center 9619 is at 8.135422 -3.176565 1.483376 ESP Fit Center 9620 is at 8.264340 -2.779794 1.483376 ESP Fit Center 9621 is at 8.430865 -2.364889 1.078175 ESP Fit Center 9622 is at 8.390159 -1.951591 1.078175 ESP Fit Center 9623 is at 8.269604 -1.554176 1.078175 ESP Fit Center 9624 is at 8.073834 -1.187916 1.078175 ESP Fit Center 9625 is at 7.489342 -4.126354 1.078175 ESP Fit Center 9626 is at 7.810372 -3.862892 1.078175 ESP Fit Center 9627 is at 8.073834 -3.541863 1.078175 ESP Fit Center 9628 is at 8.269604 -3.175603 1.078175 ESP Fit Center 9629 is at 8.390159 -2.778187 1.078175 ESP Fit Center 9630 is at 8.472369 -2.364889 .656780 ESP Fit Center 9631 is at 8.433335 -1.956106 .656780 ESP Fit Center 9632 is at 8.317644 -1.562098 .656780 ESP Fit Center 9633 is at 8.129477 -1.197105 .656780 ESP Fit Center 9634 is at 7.565292 -4.124373 .656780 ESP Fit Center 9635 is at 7.875634 -3.855460 .656780 ESP Fit Center 9636 is at 8.129477 -3.532673 .656780 ESP Fit Center 9637 is at 8.317644 -3.167680 .656780 ESP Fit Center 9638 is at 8.433335 -2.773672 .656780 ESP Fit Center 9639 is at 8.430865 -2.364889 .235385 ESP Fit Center 9640 is at 8.390159 -1.951591 .235385 ESP Fit Center 9641 is at 8.269604 -1.554176 .235385 ESP Fit Center 9642 is at 7.489342 -4.126354 .235385 ESP Fit Center 9643 is at 7.810372 -3.862892 .235385 ESP Fit Center 9644 is at 8.073834 -3.541863 .235385 ESP Fit Center 9645 is at 8.269604 -3.175603 .235385 ESP Fit Center 9646 is at 8.390159 -2.778187 .235385 ESP Fit Center 9647 is at 8.307949 -2.364889 -.169816 ESP Fit Center 9648 is at 8.264340 -1.949985 -.169816 ESP Fit Center 9649 is at 7.310159 -4.093112 -.169816 ESP Fit Center 9650 is at 7.647672 -3.847894 -.169816 ESP Fit Center 9651 is at 7.926827 -3.537862 -.169816 ESP Fit Center 9652 is at 8.135422 -3.176565 -.169816 ESP Fit Center 9653 is at 8.264340 -2.779794 -.169816 ESP Fit Center 9654 is at 8.108343 -2.364889 -.543252 ESP Fit Center 9655 is at 8.059933 -1.950709 -.543252 ESP Fit Center 9656 is at 7.384850 -3.805482 -.543252 ESP Fit Center 9657 is at 7.688165 -3.519319 -.543252 ESP Fit Center 9658 is at 7.917310 -3.170921 -.543252 ESP Fit Center 9659 is at 8.059933 -2.779069 -.543252 ESP Fit Center 9660 is at 7.839720 -2.364889 -.870571 ESP Fit Center 9661 is at 7.015050 -3.721001 -.870571 ESP Fit Center 9662 is at 7.354867 -3.481132 -.870571 ESP Fit Center 9663 is at 7.617367 -3.158476 -.870571 ESP Fit Center 9664 is at 7.783081 -2.776963 -.870571 ESP Fit Center 9665 is at 7.231647 -3.136255 -1.139194 ESP Fit Center 9666 is at 7.440030 -2.775324 -1.139194 ESP Fit Center 9667 is at 2.459163 -4.292726 -1.385918 ESP Fit Center 9668 is at 2.722625 -4.613755 -1.385918 ESP Fit Center 9669 is at 3.043654 -4.877217 -1.385918 ESP Fit Center 9670 is at 3.409914 -5.072987 -1.385918 ESP Fit Center 9671 is at 3.807330 -5.193542 -1.385918 ESP Fit Center 9672 is at 2.397575 -3.927428 -1.791119 ESP Fit Center 9673 is at 2.606170 -4.288725 -1.791119 ESP Fit Center 9674 is at 2.885324 -4.598757 -1.791119 ESP Fit Center 9675 is at 3.222838 -4.843975 -1.791119 ESP Fit Center 9676 is at 3.603960 -5.013661 -1.791119 ESP Fit Center 9677 is at 4.012033 -5.100400 -1.791119 ESP Fit Center 9678 is at 4.429223 -5.100400 -1.791119 ESP Fit Center 9679 is at 4.837296 -5.013661 -1.791119 ESP Fit Center 9680 is at 5.218418 -4.843975 -1.791119 ESP Fit Center 9681 is at 5.555931 -4.598757 -1.791119 ESP Fit Center 9682 is at 5.835086 -4.288725 -1.791119 ESP Fit Center 9683 is at 6.043681 -3.927428 -1.791119 ESP Fit Center 9684 is at 6.172599 -3.530657 -1.791119 ESP Fit Center 9685 is at 2.532964 -3.730012 -2.164555 ESP Fit Center 9686 is at 2.720113 -4.102656 -2.164555 ESP Fit Center 9687 is at 2.988156 -4.422097 -2.164555 ESP Fit Center 9688 is at 3.322641 -4.671112 -2.164555 ESP Fit Center 9689 is at 3.705537 -4.836277 -2.164555 ESP Fit Center 9690 is at 4.116201 -4.908688 -2.164555 ESP Fit Center 9691 is at 4.532496 -4.884442 -2.164555 ESP Fit Center 9692 is at 4.931977 -4.764845 -2.164555 ESP Fit Center 9693 is at 5.293109 -4.556345 -2.164555 ESP Fit Center 9694 is at 5.596424 -4.270182 -2.164555 ESP Fit Center 9695 is at 5.825569 -3.921784 -2.164555 ESP Fit Center 9696 is at 5.968192 -3.529932 -2.164555 ESP Fit Center 9697 is at 2.707503 -3.323726 -2.491874 ESP Fit Center 9698 is at 2.819725 -3.724250 -2.491874 ESP Fit Center 9699 is at 3.035845 -4.079645 -2.491874 ESP Fit Center 9700 is at 3.339835 -4.363552 -2.491874 ESP Fit Center 9701 is at 3.709149 -4.554915 -2.491874 ESP Fit Center 9702 is at 4.116398 -4.639542 -2.491874 ESP Fit Center 9703 is at 4.531377 -4.611157 -2.491874 ESP Fit Center 9704 is at 4.923309 -4.471864 -2.491874 ESP Fit Center 9705 is at 5.263126 -4.231995 -2.491874 ESP Fit Center 9706 is at 5.525626 -3.909339 -2.491874 ESP Fit Center 9707 is at 5.691340 -3.527826 -2.491874 ESP Fit Center 9708 is at 5.420660 -3.115752 -2.760497 ESP Fit Center 9709 is at 3.092967 -2.705317 -2.760497 ESP Fit Center 9710 is at 3.020596 -3.115752 -2.760497 ESP Fit Center 9711 is at 3.092967 -3.526187 -2.760497 ESP Fit Center 9712 is at 3.301350 -3.887118 -2.760497 ESP Fit Center 9713 is at 3.620612 -4.155010 -2.760497 ESP Fit Center 9714 is at 4.012245 -4.297553 -2.760497 ESP Fit Center 9715 is at 4.429011 -4.297553 -2.760497 ESP Fit Center 9716 is at 4.820644 -4.155010 -2.760497 ESP Fit Center 9717 is at 5.139906 -3.887118 -2.760497 ESP Fit Center 9718 is at 5.348289 -3.526187 -2.760497 ESP Fit Center 9719 is at 5.047224 -3.115752 -2.960103 ESP Fit Center 9720 is at 4.936481 -2.702454 -2.960103 ESP Fit Center 9721 is at 3.504775 -2.702454 -2.960103 ESP Fit Center 9722 is at 3.394032 -3.115752 -2.960103 ESP Fit Center 9723 is at 3.504775 -3.529050 -2.960103 ESP Fit Center 9724 is at 3.807330 -3.831605 -2.960103 ESP Fit Center 9725 is at 4.220628 -3.942348 -2.960103 ESP Fit Center 9726 is at 4.633926 -3.831605 -2.960103 ESP Fit Center 9727 is at 4.936481 -3.529050 -2.960103 ESP Fit Center 9728 is at 4.642023 -3.115752 -3.083019 ESP Fit Center 9729 is at 4.431325 -2.750813 -3.083019 ESP Fit Center 9730 is at 4.009930 -2.750813 -3.083019 ESP Fit Center 9731 is at 3.799233 -3.115752 -3.083019 ESP Fit Center 9732 is at 4.009930 -3.480691 -3.083019 ESP Fit Center 9733 is at 4.431325 -3.480691 -3.083019 ESP Fit Center 9734 is at 4.220628 -3.115752 -3.124523 ESP Fit Center 9735 is at 3.532729 -2.333074 4.934550 ESP Fit Center 9736 is at 3.954124 -2.333074 4.893046 ESP Fit Center 9737 is at 3.743426 -1.968135 4.893046 ESP Fit Center 9738 is at 3.322031 -1.968135 4.893046 ESP Fit Center 9739 is at 3.111334 -2.333074 4.893046 ESP Fit Center 9740 is at 3.322031 -2.698013 4.893046 ESP Fit Center 9741 is at 3.743426 -2.698013 4.893046 ESP Fit Center 9742 is at 4.359325 -2.333074 4.770130 ESP Fit Center 9743 is at 4.248582 -1.919776 4.770130 ESP Fit Center 9744 is at 3.946027 -1.617221 4.770130 ESP Fit Center 9745 is at 2.816876 -2.746372 4.770130 ESP Fit Center 9746 is at 3.119431 -3.048927 4.770130 ESP Fit Center 9747 is at 3.532729 -3.159670 4.770130 ESP Fit Center 9748 is at 3.946027 -3.048927 4.770130 ESP Fit Center 9749 is at 4.248582 -2.746372 4.770130 ESP Fit Center 9750 is at 4.732761 -2.333074 4.570524 ESP Fit Center 9751 is at 4.660390 -1.922639 4.570524 ESP Fit Center 9752 is at 4.452007 -1.561709 4.570524 ESP Fit Center 9753 is at 4.132745 -1.293816 4.570524 ESP Fit Center 9754 is at 2.613451 -3.104440 4.570524 ESP Fit Center 9755 is at 2.932713 -3.372332 4.570524 ESP Fit Center 9756 is at 3.324346 -3.514875 4.570524 ESP Fit Center 9757 is at 3.741112 -3.514875 4.570524 ESP Fit Center 9758 is at 4.132745 -3.372332 4.570524 ESP Fit Center 9759 is at 4.452007 -3.104440 4.570524 ESP Fit Center 9760 is at 4.660390 -2.743509 4.570524 ESP Fit Center 9761 is at 5.060080 -2.333074 4.301901 ESP Fit Center 9762 is at 5.003441 -1.921000 4.301901 ESP Fit Center 9763 is at 2.651936 -3.580874 4.301901 ESP Fit Center 9764 is at 3.021250 -3.772237 4.301901 ESP Fit Center 9765 is at 3.428499 -3.856864 4.301901 ESP Fit Center 9766 is at 3.843478 -3.828479 4.301901 ESP Fit Center 9767 is at 4.235410 -3.689186 4.301901 ESP Fit Center 9768 is at 4.575227 -3.449317 4.301901 ESP Fit Center 9769 is at 4.837727 -3.126661 4.301901 ESP Fit Center 9770 is at 5.003441 -2.745148 4.301901 ESP Fit Center 9771 is at 5.328703 -2.333074 3.974582 ESP Fit Center 9772 is at 2.300257 -3.639419 3.974582 ESP Fit Center 9773 is at 2.634742 -3.888434 3.974582 ESP Fit Center 9774 is at 3.017638 -4.053599 3.974582 ESP Fit Center 9775 is at 3.428302 -4.126010 3.974582 ESP Fit Center 9776 is at 3.844597 -4.101764 3.974582 ESP Fit Center 9777 is at 4.244078 -3.982167 3.974582 ESP Fit Center 9778 is at 4.605210 -3.773667 3.974582 ESP Fit Center 9779 is at 4.908525 -3.487504 3.974582 ESP Fit Center 9780 is at 5.137670 -3.139106 3.974582 ESP Fit Center 9781 is at 5.280293 -2.747254 3.974582 ESP Fit Center 9782 is at 2.197425 -3.816079 3.601146 ESP Fit Center 9783 is at 2.534939 -4.061297 3.601146 ESP Fit Center 9784 is at 2.916061 -4.230983 3.601146 ESP Fit Center 9785 is at 3.324134 -4.317722 3.601146 ESP Fit Center 9786 is at 3.741324 -4.317722 3.601146 ESP Fit Center 9787 is at 4.149397 -4.230983 3.601146 ESP Fit Center 9788 is at 4.530519 -4.061297 3.601146 ESP Fit Center 9789 is at 4.868032 -3.816079 3.601146 ESP Fit Center 9790 is at 5.147187 -3.506046 3.601146 ESP Fit Center 9791 is at 5.355782 -3.144750 3.601146 ESP Fit Center 9792 is at 2.355755 -4.094539 3.195945 ESP Fit Center 9793 is at 2.722016 -4.290309 3.195945 ESP Fit Center 9794 is at 3.119431 -4.410864 3.195945 ESP Fit Center 9795 is at 3.532729 -4.451570 3.195945 ESP Fit Center 9796 is at 5.294194 -3.510048 3.195945 ESP Fit Center 9797 is at 1.248854 -2.046292 5.378537 ESP Fit Center 9798 is at 1.670249 -2.046292 5.378537 ESP Fit Center 9799 is at .743699 -2.094651 5.255621 ESP Fit Center 9800 is at 1.046254 -2.397206 5.255621 ESP Fit Center 9801 is at 1.459552 -2.507949 5.255621 ESP Fit Center 9802 is at 1.872850 -2.397206 5.255621 ESP Fit Center 9803 is at .331891 -2.091788 5.056015 ESP Fit Center 9804 is at .540274 -2.452719 5.056015 ESP Fit Center 9805 is at .859536 -2.720611 5.056015 ESP Fit Center 9806 is at 1.251169 -2.863154 5.056015 ESP Fit Center 9807 is at 1.667935 -2.863154 5.056015 ESP Fit Center 9808 is at 2.059568 -2.720611 5.056015 ESP Fit Center 9809 is at 2.378830 -2.452719 5.056015 ESP Fit Center 9810 is at -.053573 -1.889327 4.787392 ESP Fit Center 9811 is at .058649 -2.289851 4.787392 ESP Fit Center 9812 is at .274769 -2.645246 4.787392 ESP Fit Center 9813 is at .578759 -2.929153 4.787392 ESP Fit Center 9814 is at .948073 -3.120516 4.787392 ESP Fit Center 9815 is at 1.355322 -3.205143 4.787392 ESP Fit Center 9816 is at 1.770301 -3.176758 4.787392 ESP Fit Center 9817 is at 2.162233 -3.037465 4.787392 ESP Fit Center 9818 is at 2.502050 -2.797596 4.787392 ESP Fit Center 9819 is at -.324279 -1.889853 4.460073 ESP Fit Center 9820 is at -.228112 -2.295612 4.460073 ESP Fit Center 9821 is at -.040963 -2.668257 4.460073 ESP Fit Center 9822 is at .227080 -2.987697 4.460073 ESP Fit Center 9823 is at .561565 -3.236713 4.460073 ESP Fit Center 9824 is at .944461 -3.401878 4.460073 ESP Fit Center 9825 is at 1.355125 -3.474289 4.460073 ESP Fit Center 9826 is at 1.771420 -3.450043 4.460073 ESP Fit Center 9827 is at 2.170901 -3.330446 4.460073 ESP Fit Center 9828 is at -.492420 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9847 is at -.460333 -2.671122 3.260041 ESP Fit Center 9848 is at -.238323 -3.016576 3.260041 ESP Fit Center 9849 is at .045053 -3.313772 3.260041 ESP Fit Center 9850 is at .379552 -3.551968 3.260041 ESP Fit Center 9851 is at .753085 -3.722555 3.260041 ESP Fit Center 9852 is at 1.152152 -3.819367 3.260041 ESP Fit Center 9853 is at 1.562329 -3.838907 3.260041 ESP Fit Center 9854 is at -.618238 -2.094651 2.838646 ESP Fit Center 9855 is at -.497683 -2.492066 2.838646 ESP Fit Center 9856 is at -.301913 -2.858327 2.838646 ESP Fit Center 9857 is at -.038451 -3.179356 2.838646 ESP Fit Center 9858 is at .282578 -3.442818 2.838646 ESP Fit Center 9859 is at -.363501 -2.493029 2.433445 ESP Fit Center 9860 is at -.154906 -2.854325 2.433445 ESP Fit Center 9861 is at -.016433 .187389 6.112832 ESP Fit Center 9862 is at .404962 .187389 6.071328 ESP Fit Center 9863 is at .194265 .552328 6.071328 ESP Fit Center 9864 is at -.227131 .552328 6.071328 ESP Fit Center 9865 is at -.437828 .187389 6.071328 ESP Fit Center 9866 is at -.227131 -.177550 6.071328 ESP Fit Center 9867 is at .194265 -.177550 6.071328 ESP Fit Center 9868 is at -.016433 1.013985 5.948412 ESP Fit Center 9869 is at -.429731 .903242 5.948412 ESP Fit Center 9870 is at -.732286 .600687 5.948412 ESP Fit Center 9871 is at -.843029 .187389 5.948412 ESP Fit Center 9872 is at -.732286 -.225909 5.948412 ESP Fit Center 9873 is at -.429731 -.528464 5.948412 ESP Fit Center 9874 is at -.016433 -.639207 5.948412 ESP Fit Center 9875 is at .396865 -.528464 5.948412 ESP Fit Center 9876 is at -.224816 1.369189 5.748806 ESP Fit Center 9877 is at -.616449 1.226647 5.748806 ESP Fit Center 9878 is at -.935711 .958754 5.748806 ESP Fit Center 9879 is at -1.144094 .597824 5.748806 ESP Fit Center 9880 is at -1.216465 .187389 5.748806 ESP Fit Center 9881 is at -1.144094 -.223046 5.748806 ESP Fit Center 9882 is at -.935711 -.583977 5.748806 ESP Fit Center 9883 is at -.616449 -.851869 5.748806 ESP Fit Center 9884 is at -.224816 -.994412 5.748806 ESP Fit Center 9885 is at .191950 -.994412 5.748806 ESP Fit Center 9886 is at -.527912 1.626552 5.480183 ESP Fit Center 9887 is at -.897226 1.435188 5.480183 ESP Fit Center 9888 is at -1.201216 1.151282 5.480183 ESP Fit Center 9889 is at -1.417336 .795887 5.480183 ESP Fit Center 9890 is at -1.529558 .395363 5.480183 ESP Fit Center 9891 is at -1.529558 -.020585 5.480183 ESP Fit Center 9892 is at -1.417336 -.421109 5.480183 ESP Fit Center 9893 is at -1.201216 -.776504 5.480183 ESP Fit Center 9894 is at -.897226 -1.060411 5.480183 ESP Fit Center 9895 is at -.527912 -1.251774 5.480183 ESP Fit Center 9896 is at -.120663 -1.336401 5.480183 ESP Fit Center 9897 is at .294316 -1.308016 5.480183 ESP Fit Center 9898 is at -.531524 1.907914 5.152864 ESP Fit Center 9899 is at -.914420 1.742748 5.152864 ESP Fit Center 9900 is at -1.248905 1.493733 5.152864 ESP Fit Center 9901 is at -1.516948 1.174293 5.152864 ESP Fit Center 9902 is at -1.704097 .801648 5.152864 ESP Fit Center 9903 is at -1.800264 .395889 5.152864 ESP Fit Center 9904 is at -1.800264 -.021111 5.152864 ESP Fit Center 9905 is at -1.704097 -.426870 5.152864 ESP Fit Center 9906 is at -1.516948 -.799515 5.152864 ESP Fit Center 9907 is at -1.248905 -1.118955 5.152864 ESP Fit Center 9908 is at -.914420 -1.367970 5.152864 ESP Fit Center 9909 is at -.531524 -1.533136 5.152864 ESP Fit Center 9910 is at -.120860 -1.605547 5.152864 ESP Fit Center 9911 is at -1.014223 1.915612 4.779428 ESP Fit Center 9912 is at -1.351737 1.670394 4.779428 ESP Fit Center 9913 is at -1.630891 1.360361 4.779428 ESP Fit Center 9914 is at -1.839486 .999064 4.779428 ESP Fit Center 9915 is at -1.968405 .602293 4.779428 ESP Fit Center 9916 is at -2.012013 .187389 4.779428 ESP Fit Center 9917 is at -1.968405 -.227515 4.779428 ESP Fit Center 9918 is at -1.839486 -.624286 4.779428 ESP Fit Center 9919 is at -1.630891 -.985583 4.779428 ESP Fit Center 9920 is at -1.351737 -1.295616 4.779428 ESP Fit Center 9921 is at -1.014223 -1.540834 4.779428 ESP Fit Center 9922 is at -.633101 -1.710520 4.779428 ESP Fit Center 9923 is at -.225028 -1.797259 4.779428 ESP Fit Center 9924 is at -1.193406 1.948854 4.374227 ESP Fit Center 9925 is at -1.514436 1.685392 4.374227 ESP Fit Center 9926 is at -1.777898 1.364362 4.374227 ESP Fit Center 9927 is at -1.973668 .998102 4.374227 ESP Fit Center 9928 is at -2.094223 .600687 4.374227 ESP Fit Center 9929 is at -2.134929 .187389 4.374227 ESP Fit Center 9930 is at -2.094223 -.225909 4.374227 ESP Fit Center 9931 is at -1.973668 -.623324 4.374227 ESP Fit Center 9932 is at -1.777898 -.989584 4.374227 ESP Fit Center 9933 is at -1.514436 -1.310614 4.374227 ESP Fit Center 9934 is at -1.193406 -1.574076 4.374227 ESP Fit Center 9935 is at -.827146 -1.769846 4.374227 ESP Fit Center 9936 is at -.429731 -1.890401 4.374227 ESP Fit Center 9937 is at -1.430932 1.819808 3.952832 ESP Fit Center 9938 is at -1.714308 1.522612 3.952832 ESP Fit Center 9939 is at -1.936318 1.177158 3.952832 ESP Fit Center 9940 is at -2.088938 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Center 9959 is at -.827146 -1.769846 3.531437 ESP Fit Center 9960 is at -1.630891 1.360361 3.126236 ESP Fit Center 9961 is at -1.839486 .999064 3.126236 ESP Fit Center 9962 is at -1.968405 .602293 3.126236 ESP Fit Center 9963 is at -2.012013 .187389 3.126236 ESP Fit Center 9964 is at -1.968405 -.227515 3.126236 ESP Fit Center 9965 is at -1.839486 -.624286 3.126236 ESP Fit Center 9966 is at -1.630891 -.985583 3.126236 ESP Fit Center 9967 is at -1.351737 -1.295616 3.126236 ESP Fit Center 9968 is at -1.014223 -1.540834 3.126236 ESP Fit Center 9969 is at -1.800264 .395889 2.752800 ESP Fit Center 9970 is at -1.800264 -.021111 2.752800 ESP Fit Center 9971 is at -1.704097 -.426870 2.752800 ESP Fit Center 9972 is at -1.516948 -.799515 2.752800 ESP Fit Center 9973 is at .861100 2.880541 5.423175 ESP Fit Center 9974 is at .439704 2.880541 5.423175 ESP Fit Center 9975 is at .229007 2.515602 5.423175 ESP Fit Center 9976 is at 1.063700 3.231455 5.300259 ESP Fit Center 9977 is at .650402 3.342198 5.300259 ESP Fit Center 9978 is at .237104 3.231455 5.300259 ESP Fit Center 9979 is at -.065451 2.928900 5.300259 ESP Fit Center 9980 is at -.176194 2.515602 5.300259 ESP Fit Center 9981 is at 1.250418 3.554860 5.100653 ESP Fit Center 9982 is at .858785 3.697402 5.100653 ESP Fit Center 9983 is at .442019 3.697402 5.100653 ESP Fit Center 9984 is at .050386 3.554860 5.100653 ESP Fit Center 9985 is at -.268876 3.286967 5.100653 ESP Fit Center 9986 is at -.477259 2.926037 5.100653 ESP Fit Center 9987 is at -.549630 2.515602 5.100653 ESP Fit Center 9988 is at -.477259 2.105167 5.100653 ESP Fit Center 9989 is at 1.353083 3.871714 4.832030 ESP Fit Center 9990 is at .961151 4.011007 4.832030 ESP Fit Center 9991 is at .546172 4.039392 4.832030 ESP Fit Center 9992 is at .138923 3.954765 4.832030 ESP Fit Center 9993 is at -.230391 3.763401 4.832030 ESP Fit Center 9994 is at -.534381 3.479495 4.832030 ESP Fit Center 9995 is at -.750501 3.124100 4.832030 ESP Fit Center 9996 is at -.862723 2.723576 4.832030 ESP Fit Center 9997 is at -.862723 2.307628 4.832030 ESP Fit Center 9998 is at .545975 4.308538 4.504711 ESP Fit Center 9999 is at .135311 4.236127 4.504711 ESP Fit Center **** is at -.247585 4.070961 4.504711 ESP Fit Center **** is at -.582070 3.821946 4.504711 ESP Fit Center **** is at -.850113 3.502506 4.504711 ESP Fit Center **** is at -1.037262 3.129861 4.504711 ESP Fit Center **** is at -1.133429 2.724102 4.504711 ESP Fit Center **** is at -1.133429 2.307102 4.504711 ESP Fit Center **** is at .441807 4.500250 4.131275 ESP Fit Center **** is at .033734 4.413511 4.131275 ESP Fit Center **** is at -.347388 4.243825 4.131275 ESP Fit Center **** is at -.684902 3.998607 4.131275 ESP Fit Center **** is at -.964056 3.688574 4.131275 ESP Fit Center **** is at -1.172651 3.327277 4.131275 ESP Fit Center **** is at -1.301570 2.930506 4.131275 ESP Fit Center **** is at -1.345178 2.515602 4.131275 ESP Fit Center **** is at -1.301570 2.100698 4.131275 ESP Fit Center **** is at .237104 4.593392 3.726074 ESP Fit Center **** is at -.160311 4.472837 3.726074 ESP Fit Center **** is at -.526571 4.277067 3.726074 ESP Fit Center **** is at -.847601 4.013605 3.726074 ESP Fit Center **** is at -1.111063 3.692575 3.726074 ESP Fit Center **** is at -1.306833 3.326315 3.726074 ESP Fit Center **** is at -1.427388 2.928900 3.726074 ESP Fit Center **** is at -1.468094 2.515602 3.726074 ESP Fit Center **** is at -1.427388 2.102304 3.726074 ESP Fit Center **** is at -.056065 4.556804 3.304679 ESP Fit Center **** is at -.429598 4.386217 3.304679 ESP Fit Center **** is at -.764097 4.148021 3.304679 ESP Fit Center **** is at -1.047473 3.850825 3.304679 ESP Fit Center **** is at -1.269483 3.505371 3.304679 ESP Fit Center **** is at -1.422103 3.124144 3.304679 ESP Fit Center **** is at -1.499817 2.720923 3.304679 ESP Fit Center **** is at -1.499817 2.310281 3.304679 ESP Fit Center **** is at -.160311 4.472837 2.883284 ESP Fit Center **** is at -.526571 4.277067 2.883284 ESP Fit Center **** is at -.847601 4.013605 2.883284 ESP Fit Center **** is at -1.111063 3.692575 2.883284 ESP Fit Center **** is at -1.306833 3.326315 2.883284 ESP Fit Center **** is at -1.427388 2.928900 2.883284 ESP Fit Center **** is at -1.468094 2.515602 2.883284 ESP Fit Center **** is at -1.427388 2.102304 2.883284 ESP Fit Center **** is at -.347388 4.243825 2.478083 ESP Fit Center **** is at -.684902 3.998607 2.478083 ESP Fit Center **** is at -.964056 3.688574 2.478083 ESP Fit Center **** is at -1.172651 3.327277 2.478083 ESP Fit Center **** is at -1.301570 2.930506 2.478083 ESP Fit Center **** is at -.247585 4.070961 2.104647 ESP Fit Center **** is at -.582070 3.821946 2.104647 ESP Fit Center **** is at -.230391 3.763401 1.777328 ESP Fit Center **** is at 4.915842 5.496550 1.592059 ESP Fit Center **** is at 4.612528 5.782713 1.592059 ESP Fit Center **** is at 4.251395 5.991212 1.592059 ESP Fit Center **** is at 3.851914 6.110809 1.592059 ESP Fit Center **** is at 5.363099 5.153795 1.218623 ESP Fit Center **** is at 5.154504 5.515092 1.218623 ESP Fit Center **** is at 4.875350 5.825125 1.218623 ESP Fit Center **** is at 4.537836 6.070343 1.218623 ESP Fit Center **** is at 4.156714 6.240029 1.218623 ESP Fit Center **** is at 3.748641 6.326768 1.218623 ESP Fit Center **** is at 3.331451 6.326768 1.218623 ESP Fit Center **** is at 5.497281 5.152833 .813422 ESP Fit Center **** is at 5.301511 5.519093 .813422 ESP Fit Center **** is at 5.038049 5.840123 .813422 ESP Fit Center **** is at 4.717019 6.103585 .813422 ESP Fit Center **** is at 4.350759 6.299355 .813422 ESP Fit Center **** is at 3.953344 6.419910 .813422 ESP Fit Center **** is at 3.540046 6.460616 .813422 ESP Fit Center **** is at 3.126748 6.419910 .813422 ESP Fit Center **** is at 2.729333 6.299355 .813422 ESP Fit Center **** is at 2.363073 6.103585 .813422 ESP Fit Center **** is at 5.545321 5.144911 .392027 ESP Fit Center **** is at 5.357154 5.509904 .392027 ESP Fit Center **** is at 5.103312 5.832691 .392027 ESP Fit Center **** is at 4.792969 6.101604 .392027 ESP Fit Center **** is at 4.437342 6.306925 .392027 ESP Fit Center **** is at 4.049285 6.441233 .392027 ESP Fit Center **** is at 3.642823 6.499673 .392027 ESP Fit Center **** is at 3.232646 6.480134 .392027 ESP Fit Center **** is at 2.833579 6.383322 .392027 ESP Fit Center **** is at 2.460046 6.212735 .392027 ESP Fit Center **** is at 2.125547 5.974539 .392027 ESP Fit Center **** is at 1.842171 5.677343 .392027 ESP Fit Center **** is at 5.617836 4.755418 -.029368 ESP Fit Center **** is at 5.497281 5.152833 -.029368 ESP Fit Center **** is at 5.301511 5.519093 -.029368 ESP Fit Center **** is at 5.038049 5.840123 -.029368 ESP Fit Center **** is at 4.717019 6.103585 -.029368 ESP Fit Center **** is at 4.350759 6.299355 -.029368 ESP Fit Center **** is at 3.953344 6.419910 -.029368 ESP Fit Center **** is at 3.540046 6.460616 -.029368 ESP Fit Center **** is at 3.126748 6.419910 -.029368 ESP Fit Center **** is at 2.729333 6.299355 -.029368 ESP 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**** is at 4.004060 -.449075 5.081696 ESP Fit Center **** is at 3.931981 -.040292 5.081696 ESP Fit Center **** is at 3.724436 .319187 5.081696 ESP Fit Center **** is at 3.931981 -.857859 5.081696 ESP Fit Center **** is at 4.367609 -.449075 4.893320 ESP Fit Center **** is at 4.309806 -.028529 4.893320 ESP Fit Center **** is at 4.140685 .360827 4.893320 ESP Fit Center **** is at 3.872788 .690117 4.893320 ESP Fit Center **** is at 3.525984 .934918 4.893320 ESP Fit Center **** is at 4.140685 -1.258978 4.893320 ESP Fit Center **** is at 4.309806 -.869621 4.893320 ESP Fit Center **** is at 4.702121 -.449075 4.657196 ESP Fit Center **** is at 4.657857 -.042079 4.657196 ESP Fit Center **** is at 4.527137 .345886 4.657196 ESP Fit Center **** is at 4.657857 -.856071 4.657196 ESP Fit Center **** is at 5.001365 -.449075 4.377721 ESP Fit Center **** is at 4.961743 -.034140 4.377721 ESP Fit Center **** is at 4.844311 .365798 4.377721 ESP Fit Center **** is at 2.089612 -.660626 5.997125 ESP Fit 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**** is at 1.736536 6.811193 3.207939 ESP Fit Center **** is at 1.343207 6.669927 3.207939 ESP Fit Center **** is at .976052 6.470274 3.207939 ESP Fit Center **** is at .643677 6.216915 3.207939 ESP Fit Center **** is at .353872 5.915789 3.207939 ESP Fit Center **** is at .113431 5.573954 3.207939 ESP Fit Center **** is at -.072012 5.199421 3.207939 ESP Fit Center **** is at -.198110 4.800970 3.207939 ESP Fit Center **** is at 5.128004 5.001983 2.794124 ESP Fit Center **** is at 4.975541 5.390453 2.794124 ESP Fit Center **** is at 4.766882 5.751862 2.794124 ESP Fit Center **** is at 4.506688 6.078134 2.794124 ESP Fit Center **** is at 4.200772 6.361983 2.794124 ESP Fit Center **** is at 3.855967 6.597067 2.794124 ESP Fit Center **** is at 3.479977 6.778134 2.794124 ESP Fit Center **** is at 3.081198 6.901141 2.794124 ESP Fit Center **** is at 2.668541 6.963339 2.794124 ESP Fit Center **** is at 2.251223 6.963339 2.794124 ESP Fit Center **** is at 1.838566 6.901141 2.794124 ESP Fit 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Fit Center **** is at .718992 6.361983 2.375636 ESP Fit Center **** is at .413076 6.078134 2.375636 ESP Fit Center **** is at .152882 5.751862 2.375636 ESP Fit Center **** is at -.055777 5.390453 2.375636 ESP Fit Center **** is at -.208240 5.001983 2.375636 ESP Fit Center **** is at -.301102 4.595127 2.375636 ESP Fit Center **** is at 4.426761 6.071907 1.961821 ESP Fit Center **** is at 4.114755 6.349965 1.961821 ESP Fit Center **** is at 3.763961 6.577137 1.961821 ESP Fit Center **** is at 3.382600 6.748098 1.961821 ESP Fit Center **** is at 2.979611 6.858841 1.961821 ESP Fit Center **** is at 2.564441 6.906771 1.961821 ESP Fit Center **** is at 2.146819 6.890763 1.961821 ESP Fit Center **** is at 1.736536 6.811193 1.961821 ESP Fit Center **** is at 1.343207 6.669927 1.961821 ESP Fit Center **** is at .976052 6.470274 1.961821 ESP Fit Center **** is at .643677 6.216915 1.961821 ESP Fit Center **** is at .353872 5.915789 1.961821 ESP Fit Center **** is at .113431 5.573954 1.961821 ESP Fit Center **** is at -.072012 5.199421 1.961821 ESP Fit Center **** is at -.198110 4.800970 1.961821 ESP Fit Center **** is at -.261906 4.387940 1.961821 ESP Fit Center **** is at 3.643184 6.501337 1.561925 ESP Fit Center **** is at 3.265318 6.657854 1.561925 ESP Fit Center **** is at 2.867620 6.753333 1.561925 ESP Fit Center **** is at 2.459882 6.785422 1.561925 ESP Fit Center **** is at 2.052144 6.753333 1.561925 ESP Fit Center **** is at 1.654446 6.657854 1.561925 ESP Fit Center **** is at 1.276580 6.501337 1.561925 ESP Fit Center **** is at .927851 6.287635 1.561925 ESP Fit Center **** is at .616846 6.022012 1.561925 ESP Fit Center **** is at .351223 5.711007 1.561925 ESP Fit Center **** is at .137521 5.362278 1.561925 ESP Fit Center **** is at -.018996 4.984412 1.561925 ESP Fit Center **** is at -.114475 4.586714 1.561925 ESP Fit Center **** is at 2.970752 6.549421 1.184880 ESP Fit Center **** is at 2.562796 6.601662 1.184880 ESP Fit Center **** is at 2.151880 6.584207 1.184880 ESP Fit Center **** is at 1.749825 6.497557 1.184880 ESP Fit Center **** is at 1.368196 6.344206 1.184880 ESP Fit Center **** is at 1.017973 6.128565 1.184880 ESP Fit Center **** is at .709232 5.856838 1.184880 ESP Fit Center **** is at .450853 5.536843 1.184880 ESP Fit Center **** is at .250270 5.177783 1.184880 ESP Fit Center **** is at .113254 4.789990 1.184880 ESP Fit Center **** is at 2.148337 6.345822 .839108 ESP Fit Center **** is at 1.743888 6.247704 .839108 ESP Fit Center **** is at 1.365318 6.074816 .839108 ESP Fit Center **** is at 1.026308 5.833409 .839108 ESP Fit Center **** is at .739111 5.532205 .839108 ESP Fit Center **** is at .514107 5.182092 .839108 ESP Fit Center **** is at 1.754960 5.948197 .532335 ESP Fit Center **** is at 1.391110 5.755296 .532335 ESP Fit Center **** is at 1.077235 5.488688 .532335 ESP Fit Center **** is at 3.839302 1.174422 4.800193 ESP Fit Center **** is at 4.333552 .769727 4.663075 ESP Fit Center **** is at 4.261473 1.178510 4.663075 ESP Fit Center **** is at 4.697101 .769727 4.474699 ESP Fit Center **** is at 4.639298 1.190273 4.474699 ESP Fit Center **** is at 4.470177 1.579629 4.474699 ESP Fit Center **** is at 5.031613 .769727 4.238575 ESP Fit Center **** is at 4.987349 1.176723 4.238575 ESP Fit Center **** is at 4.856629 1.564688 4.238575 ESP Fit Center **** is at 4.645563 1.915481 4.238575 ESP Fit Center **** is at 4.987349 .362731 4.238575 ESP Fit Center **** is at 5.330857 .769727 3.959100 ESP Fit Center **** is at 5.291235 1.184662 3.959100 ESP Fit Center **** is at 5.173803 1.584600 3.959100 ESP Fit Center **** is at 4.982804 1.955086 3.959100 ESP Fit Center **** is at 5.291235 .354792 3.959100 ESP Fit Center **** is at 5.589259 .769727 3.641482 ESP Fit Center **** is at 5.554005 1.183933 3.641482 ESP Fit Center **** is at 5.449256 1.586222 3.641482 ESP Fit Center **** is at 5.278028 1.965023 3.641482 ESP Fit Center **** is at 5.045244 2.309437 3.641482 ESP Fit Center **** is at 5.769211 1.186414 3.291636 ESP Fit 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Center **** is at -7.776374 3.575289 1.997602 ESP Fit Center **** is at -8.189483 3.669578 1.997602 ESP Fit Center **** is at -8.612788 3.688589 1.997602 ESP Fit Center **** is at -9.032685 3.631710 1.997602 ESP Fit Center **** is at -9.435678 3.500770 1.997602 ESP Fit Center **** is at -9.808814 3.299976 1.997602 ESP Fit Center **** is at -10.140101 3.035784 1.997602 ESP Fit Center **** is at -10.418891 2.716683 1.997602 ESP Fit Center **** is at -10.636223 2.352931 1.997602 ESP Fit Center **** is at -10.785111 1.956218 1.997602 ESP Fit Center **** is at -10.860772 1.539296 1.997602 ESP Fit Center **** is at -10.860772 1.115564 1.997602 ESP Fit Center **** is at -8.089992 3.690969 1.580846 ESP Fit Center **** is at -8.506748 3.727430 1.580846 ESP Fit Center **** is at -8.923504 3.690969 1.580846 ESP Fit Center **** is at -9.327596 3.582692 1.580846 ESP Fit Center **** is at -9.706748 3.405891 1.580846 ESP Fit Center **** is at -10.049438 3.165937 1.580846 ESP Fit Center **** is at -10.345255 2.870120 1.580846 ESP Fit Center **** is at -10.585209 2.527430 1.580846 ESP Fit Center **** is at -10.762010 2.148278 1.580846 ESP Fit Center **** is at -10.870287 1.744186 1.580846 ESP Fit Center **** is at -10.906748 1.327430 1.580846 ESP Fit Center **** is at -10.870287 .910674 1.580846 ESP Fit Center **** is at -8.189483 3.669578 1.164090 ESP Fit Center **** is at -8.612788 3.688589 1.164090 ESP Fit Center **** is at -9.032685 3.631710 1.164090 ESP Fit Center **** is at -9.435678 3.500770 1.164090 ESP Fit Center **** is at -9.808814 3.299976 1.164090 ESP Fit Center **** is at -10.140101 3.035784 1.164090 ESP Fit Center **** is at -10.418891 2.716683 1.164090 ESP Fit Center **** is at -10.636223 2.352931 1.164090 ESP Fit Center **** is at -10.785111 1.956218 1.164090 ESP Fit Center **** is at -10.860772 1.539296 1.164090 ESP Fit Center **** is at -10.860772 1.115564 1.164090 ESP Fit Center **** is at -8.399438 3.580138 .759998 ESP Fit Center **** is at -8.827705 3.559737 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Fit Center **** is at -10.774452 -3.294398 2.947074 ESP Fit Center **** is at -10.676008 -3.709767 2.947074 ESP Fit Center **** is at -10.484427 -4.091237 2.947074 ESP Fit Center **** is at -10.210037 -4.418242 2.947074 ESP Fit Center **** is at -9.867630 -4.673154 2.947074 ESP Fit Center **** is at -9.475667 -4.842231 2.947074 ESP Fit Center **** is at -10.765672 -2.072280 2.604384 ESP Fit Center **** is at -10.931518 -2.458746 2.604384 ESP Fit Center **** is at -11.016174 -2.870686 2.604384 ESP Fit Center **** is at -11.016174 -3.291235 2.604384 ESP Fit Center **** is at -10.931518 -3.703175 2.604384 ESP Fit Center **** is at -10.765672 -4.089642 2.604384 ESP Fit Center **** is at -10.525426 -4.434813 2.604384 ESP Fit Center **** is at -10.220616 -4.724557 2.604384 ESP Fit Center **** is at -9.863719 -4.947013 2.604384 ESP Fit Center **** is at -10.952934 -2.047540 2.225232 ESP Fit Center **** is at -11.112285 -2.445580 2.225232 ESP Fit Center **** is at -11.193427 -2.866585 2.225232 ESP Fit Center **** is at -11.193427 -3.295337 2.225232 ESP Fit Center **** is at -11.112285 -3.716342 2.225232 ESP Fit Center **** is at -10.952934 -4.114382 2.225232 ESP Fit Center **** is at -10.721133 -4.475072 2.225232 ESP Fit Center **** is at -10.425260 -4.785374 2.225232 ESP Fit Center **** is at -10.076008 -5.034075 2.225232 ESP Fit Center **** is at -9.686001 -5.212186 2.225232 ESP Fit Center **** is at -11.077852 -2.055460 1.821140 ESP Fit Center **** is at -11.226741 -2.452173 1.821140 ESP Fit Center **** is at -11.302401 -2.869095 1.821140 ESP Fit Center **** is at -11.302401 -3.292827 1.821140 ESP Fit Center **** is at -11.226741 -3.709749 1.821140 ESP Fit Center **** is at -11.077852 -4.106462 1.821140 ESP Fit Center **** is at -10.860520 -4.470214 1.821140 ESP Fit Center **** is at -10.581730 -4.789314 1.821140 ESP Fit Center **** is at -10.250443 -5.053507 1.821140 ESP Fit Center **** is at -9.877307 -5.254300 1.821140 ESP Fit Center **** is at -11.203639 -2.260113 1.404384 ESP Fit Center **** is at -11.311916 -2.664205 1.404384 ESP Fit Center **** is at -11.348377 -3.080961 1.404384 ESP Fit Center **** is at -11.311916 -3.497717 1.404384 ESP Fit Center **** is at -11.203639 -3.901809 1.404384 ESP Fit Center **** is at -11.026838 -4.280961 1.404384 ESP Fit Center **** is at -10.786884 -4.623651 1.404384 ESP Fit Center **** is at -10.491067 -4.919468 1.404384 ESP Fit Center **** is at -10.148377 -5.159422 1.404384 ESP Fit Center **** is at -11.077852 -2.055460 .987628 ESP Fit Center **** is at -11.226741 -2.452173 .987628 ESP Fit Center **** is at -11.302401 -2.869095 .987628 ESP Fit Center **** is at -11.302401 -3.292827 .987628 ESP Fit Center **** is at -11.226741 -3.709749 .987628 ESP Fit Center **** is at -11.077852 -4.106462 .987628 ESP Fit Center **** is at -10.860520 -4.470214 .987628 ESP Fit Center **** is at -10.581730 -4.789314 .987628 ESP Fit Center **** is at -10.250443 -5.053507 .987628 ESP Fit Center **** is at -10.952934 -2.047540 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ESP Fit Center **** is at -1.915173 -2.414799 -.378575 ESP Fit Center **** is at -2.517011 -3.432228 -.757727 ESP Fit Center **** is at -2.192981 -3.151455 -.757727 ESP Fit Center **** is at -1.927944 -2.814433 -.757727 ESP Fit Center **** is at -2.705184 -3.676468 -1.161819 ESP Fit Center **** is at -2.351549 -3.443035 -1.161819 ESP Fit Center **** is at -2.045278 -3.150210 -1.161819 ESP Fit Center **** is at -3.004343 -3.850408 -1.578575 ESP Fit Center **** is at -2.625191 -3.673607 -1.578575 ESP Fit Center **** is at -2.282501 -3.433653 -1.578575 ESP Fit Center **** is at -3.507926 -3.937294 -1.995331 ESP Fit Center **** is at -3.094817 -3.843005 -1.995331 ESP Fit Center **** is at -2.705184 -3.676468 -1.995331 ESP Fit Center **** is at -2.351549 -3.443035 -1.995331 ESP Fit Center **** is at -3.717881 -3.847854 -2.399423 ESP Fit Center **** is at -3.293493 -3.786836 -2.399423 ESP Fit Center **** is at -2.888321 -3.646605 -2.399423 ESP Fit Center **** is at -2.517011 -3.432228 -2.399423 ESP Fit Center **** is at -3.930463 -3.670939 -2.778575 ESP Fit Center **** is at -3.510454 -3.649639 -2.778575 ESP Fit Center **** is at -3.103331 -3.544227 -2.778575 ESP Fit Center **** is at -2.725760 -3.359020 -2.778575 ESP Fit Center **** is at -2.393200 -3.101600 -2.778575 ESP Fit Center **** is at -3.932091 -3.430542 -3.121265 ESP Fit Center **** is at -3.505938 -3.405722 -3.121265 ESP Fit Center **** is at -3.096996 -3.283292 -3.121265 ESP Fit Center **** is at -2.727311 -3.069855 -3.121265 ESP Fit Center **** is at -3.930468 -3.134240 -3.417082 ESP Fit Center **** is at -3.511321 -3.105569 -3.417082 ESP Fit Center **** is at -3.115453 -2.964878 -3.417082 ESP Fit Center **** is at -2.772223 -2.722600 -3.417082 ESP Fit Center **** is at -4.033569 -2.776915 -3.657036 ESP Fit Center **** is at -3.616813 -2.776915 -3.657036 ESP Fit Center **** is at -3.225191 -2.634376 -3.657036 ESP Fit Center **** is at -2.905938 -2.366491 -3.657036 ESP Fit Center **** is at -4.235615 -2.306022 -3.833837 ESP Fit Center **** is at -3.825191 -2.415994 -3.833837 ESP Fit Center **** is at -3.414767 -2.306022 -3.833837 ESP Fit Center **** is at -3.114316 -2.005570 -3.833837 ESP Fit Center **** is at -3.408435 -1.595146 -3.942114 ESP Fit Center **** is at -4.033569 -1.956067 -3.942114 ESP Fit Center **** is at -3.616813 -1.956067 -3.942114 ESP Fit Center **** is at -3.825191 -1.595146 -3.978575 ESP Fit Center **** is at -2.472518 3.441024 2.441820 ESP Fit Center **** is at -2.055762 3.441024 2.405359 ESP Fit Center **** is at -2.264140 3.801945 2.405359 ESP Fit Center **** is at -1.761642 3.851448 2.297082 ESP Fit Center **** is at -2.062094 4.151900 2.297082 ESP Fit Center **** is at -2.472518 4.261872 2.297082 ESP Fit Center **** is at -1.553265 4.212369 2.120281 ESP Fit Center **** is at -1.872518 4.480254 2.120281 ESP Fit Center **** is at -2.264140 4.622793 2.120281 ESP Fit Center **** is at -2.680896 4.622793 2.120281 ESP Fit Center **** is at -1.154413 4.242581 1.880327 ESP Fit Center **** is at -1.419550 4.568478 1.880327 ESP Fit Center **** is at -1.762780 4.810756 1.880327 ESP Fit Center **** is at -2.158648 4.951447 1.880327 ESP Fit Center **** is at -2.577795 4.980118 1.880327 ESP Fit Center **** is at -1.064140 4.622793 1.584510 ESP Fit Center **** is at -1.374638 4.915733 1.584510 ESP Fit Center **** is at -1.744323 5.129170 1.584510 ESP Fit Center **** is at -2.153265 5.251600 1.584510 ESP Fit Center **** is at -2.579418 5.276420 1.584510 ESP Fit Center **** is at -.766593 4.628383 1.241820 ESP Fit Center **** is at -1.040527 4.947478 1.241820 ESP Fit Center **** is at -1.373087 5.204898 1.241820 ESP Fit Center **** is at -1.750658 5.390105 1.241820 ESP Fit Center **** is at -2.157781 5.495517 1.241820 ESP Fit Center **** is at -2.577790 5.516817 1.241820 ESP Fit Center **** is at -.840308 4.997333 .862668 ESP Fit Center **** is at -1.164338 5.278106 .862668 ESP Fit Center **** is at -1.535648 5.492483 .862668 ESP Fit Center **** is at -1.940820 5.632714 .862668 ESP Fit Center **** is at -2.365208 5.693732 .862668 ESP Fit Center **** is at -2.793475 5.673331 .862668 ESP Fit Center **** is at -.692604 4.996088 .458576 ESP Fit Center **** is at -.998876 5.288913 .458576 ESP Fit Center **** is at -1.352511 5.522346 .458576 ESP Fit Center **** is at -1.742144 5.688883 .458576 ESP Fit Center **** is at -2.155252 5.783172 .458576 ESP Fit Center **** is at -2.578558 5.802183 .458576 ESP Fit Center **** is at -.634011 4.983714 .041820 ESP Fit Center **** is at -.929828 5.279531 .041820 ESP Fit Center **** is at -1.272518 5.519485 .041820 ESP Fit Center **** is at -1.651670 5.696286 .041820 ESP Fit Center **** is at -2.055762 5.804563 .041820 ESP Fit Center **** is at -2.472518 5.841024 .041820 ESP Fit Center **** is at -.692604 4.996088 -.374936 ESP Fit Center **** is at -.998876 5.288913 -.374936 ESP Fit Center **** is at -1.352511 5.522346 -.374936 ESP Fit Center **** is at -1.742144 5.688883 -.374936 ESP Fit Center **** is at -2.155252 5.783172 -.374936 ESP Fit Center **** is at -.575271 4.660311 -.779028 ESP Fit Center **** is at -.840308 4.997333 -.779028 ESP Fit Center **** is at -1.164338 5.278106 -.779028 ESP Fit Center **** is at -1.535648 5.492483 -.779028 ESP Fit Center **** is at -1.940820 5.632714 -.779028 ESP Fit Center **** is at -.766593 4.628383 -1.158180 ESP Fit Center **** is at -1.040527 4.947478 -1.158180 ESP Fit Center **** is at -1.373087 5.204898 -1.158180 ESP Fit Center **** is at -1.750658 5.390105 -1.158180 ESP Fit Center **** is at -2.157781 5.495517 -1.158180 ESP Fit Center **** is at -.829568 4.266144 -1.500870 ESP Fit Center **** is at -1.064140 4.622793 -1.500870 ESP Fit Center **** is at -1.374638 4.915733 -1.500870 ESP Fit Center **** is at -1.744323 5.129170 -1.500870 ESP Fit Center **** is at -1.419550 4.568478 -1.796687 Entering OneElI... OneElI was handed 5820355 working-precision words. Calculate electrostatic properties NBasis = 720 MinDer = 0 MaxDer = 0 NGrid = 15302 NMatD = 1 Requested accuracy = .1000D-05 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 4216266 working-precision words and 6904 shell-pairs 15232 points will be used for fitting atomic charges Fitting point charges to eletrostatic potential Charges from ESP fit, RMS= .00161 RRMS= .01850: Charge= -1.00000 Dipole= -3.5056 -6.5660 10.0009 Tot= 12.4668 1 1 P 1.201150 2 O -.503134 3 P 1.265396 4 O -.303442 5 C -.187927 6 C .383690 7 C -.059653 8 C .860250 9 C .198669 10 N .057592 11 C -.077830 12 C -.189257 13 C .027972 14 C -.237333 15 C .955560 16 N -1.082297 17 O -.693343 18 C .159562 19 O -.523777 20 O -.823393 21 O -.697373 22 O -.772261 23 O -.795130 24 O -.466316 25 C .118425 26 C .145622 27 C .028017 28 C .286104 29 C .459094 30 N -.397827 31 C .555642 32 N -.806457 33 C .644282 34 N -.846890 35 C .805163 36 N -.962406 37 C -.051899 38 N -.634086 39 C .367223 40 O -.556731 41 O -.752379 42 O -.681873 43 O -.714709 44 O -.794393 45 H .105162 46 H .104640 47 H .015464 48 H .113058 49 H -.311952 50 H .083188 51 H .190772 52 H .172310 53 H .170540 54 H .449560 55 H .479142 56 H .149394 57 H .504300 58 H .444234 59 H .070119 60 H .079950 61 H .106201 62 H .064859 63 H .046497 64 H .101876 65 H .044088 66 H .410657 67 H .415420 68 H .119270 69 H .484862 70 H .479091 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -54.119531 2 Atom -22.419471 3 Atom -54.134895 4 Atom -22.408004 5 Atom -14.758345 6 Atom -14.738297 7 Atom -14.744705 8 Atom -14.758743 9 Atom -14.678826 10 Atom -18.282442 11 Atom -14.696649 12 Atom -14.753941 13 Atom -14.738128 14 Atom -14.762224 15 Atom -14.682562 16 Atom -18.421672 17 Atom -22.435590 18 Atom -14.705846 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.000281507 -.000222400 29 6 .000452977 .000452790 -.000030778 30 7 .000113796 -.000295987 .000061903 31 6 -.000031668 .000296547 .000141378 32 7 -.000014539 -.000079753 -.000025013 33 6 .000016965 .000027268 -.000068014 34 7 .000108036 -.000122805 .000017330 35 6 -.000081204 .000325264 -.000229967 36 7 .000103482 -.000126275 .000239598 37 6 .000030367 -.000189135 -.000016739 38 7 .000030473 -.000047958 .000064389 39 6 -.000228542 .000098880 -.000043272 40 8 -.000392027 .000313971 -.000056033 41 8 -.000195864 -.000129792 .000355071 42 8 .000232452 .000077043 .000050359 43 8 -.000073159 .000071092 .000153679 44 8 .000291763 -.000093333 -.000018024 45 1 .000022862 -.000025206 -.000061264 46 1 .000004955 -.000002953 .000009526 47 1 .000013518 -.000029102 -.000035273 48 1 .000013741 -.000005281 -.000041248 49 1 -.000088549 -.000033653 .000007612 50 1 .000082725 -.000089569 -.000061868 51 1 -.000008129 .000021304 .000009943 52 1 .000023448 -.000037234 .000028757 53 1 .000048952 .000048385 -.000098645 54 1 .000065906 .000064948 .000025569 55 1 .000075887 -.000026549 -.000021838 56 1 .000058335 .000013949 -.000033726 57 1 .000038480 -.000000224 .000358150 58 1 -.000003500 .000006905 .000002319 59 1 .000131533 -.000098741 -.000096064 60 1 -.000064089 -.000025872 .000016661 61 1 .000024615 -.000068405 -.000094438 62 1 -.000012020 .000220915 -.000064426 63 1 -.000034703 -.000052750 -.000006906 64 1 -.000101395 -.000191033 -.000142095 65 1 .000028912 -.000003392 .000011486 66 1 -.000032650 -.000014002 -.000059401 67 1 -.000050341 -.000000391 -.000060917 68 1 .000020430 -.000045082 .000094582 69 1 .000090275 -.000013320 -.000167131 70 1 -.000156132 .000152793 -.000053475 ------------------------------------------------------------------- Cartesian Forces: Max .001170551 RMS .000212085 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000644641 RMS .000135952 Search for a local minimum. Step number 1 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. Eigenvalues --- .00392 .00474 .00488 .00574 .00672 Eigenvalues --- .00754 .00858 .00998 .00998 .01562 Eigenvalues --- .01623 .01694 .01701 .01738 .01831 Eigenvalues --- .01901 .02018 .02167 .02252 .02277 Eigenvalues --- .02286 .02310 .02326 .02327 .02370 Eigenvalues --- .02388 .02430 .02461 .02486 .02517 Eigenvalues --- .02520 .02551 .02558 .02578 .02696 Eigenvalues --- .02717 .02754 .02801 .03006 .03167 Eigenvalues --- .03187 .03264 .03378 .03397 .03657 Eigenvalues --- .03829 .04001 .04070 .04269 .04908 Eigenvalues --- .05077 .05113 .05273 .05370 .05410 Eigenvalues --- .05449 .05641 .05675 .05882 .05997 Eigenvalues --- .06018 .06037 .06098 .06246 .06318 Eigenvalues --- .06983 .07071 .07578 .07691 .08080 Eigenvalues --- .08131 .08259 .08485 .09879 .10286 Eigenvalues --- .11417 .11542 .13075 .13195 .13988 Eigenvalues --- .14127 .15590 .15747 .15848 .15990 Eigenvalues --- .15996 .15997 .15998 .15999 .16000 Eigenvalues --- .16000 .16000 .16000 .16000 .16000 Eigenvalues --- .16000 .16000 .16000 .16284 .16422 Eigenvalues --- .16487 .16597 .16975 .17221 .17906 Eigenvalues --- .18642 .18834 .19843 .20227 .21177 Eigenvalues --- .21629 .21992 .23147 .23449 .23459 Eigenvalues --- .23463 .23609 .24815 .24873 .24979 Eigenvalues --- .24992 .24994 .24997 .24998 .24999 Eigenvalues --- .24999 .25000 .25000 .25000 .25000 Eigenvalues --- .26333 .26440 .28494 .28763 .28981 Eigenvalues --- .29249 .30025 .30106 .31643 .32559 Eigenvalues --- .34951 .35251 .35495 .35547 .35585 Eigenvalues --- .35658 .35701 .35749 .35757 .35880 Eigenvalues --- .36096 .36545 .36586 .36902 .36958 Eigenvalues --- .37154 .37401 .37511 .37612 .37612 Eigenvalues --- .39371 .41149 .42073 .44394 .44767 Eigenvalues --- .44917 .44982 .45041 .45083 .45140 Eigenvalues --- .45590 .45985 .46201 .46752 .47431 Eigenvalues --- .48284 .48344 .48597 .48632 .48698 Eigenvalues --- .48828 .49835 .49955 .51136 .51226 Eigenvalues --- .52181 .52707 .54066 .54333 .55160 Eigenvalues --- .55835 .57329 .57894 .58059 .58475 Eigenvalues --- .58801 .59949 .62802 .68239 .79265 Eigenvalues --- .81943 .86393 .90223 1.010411000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.26948844D-04. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= .06814192 RMS(Int)= .00112490 Iteration 2 RMS(Cart)= .00416051 RMS(Int)= .00011714 Iteration 3 RMS(Cart)= .00002290 RMS(Int)= .00011710 Iteration 4 RMS(Cart)= .00000011 RMS(Int)= .00011710 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01423 -.00025 .00000 -.00046 -.00042 3.01381 R2 3.04408 .00009 .00000 .00016 .00015 3.04423 R3 2.81869 .00020 .00000 .00026 .00026 2.81895 R4 2.80525 -.00011 .00000 -.00008 .00000 2.80525 R5 3.08880 -.00017 .00000 -.00038 -.00039 3.08841 R6 3.12326 -.00002 .00000 -.00026 -.00046 3.12280 R7 2.76530 -.00011 .00000 -.00012 -.00012 2.76519 R8 2.78341 .00004 .00000 .00005 .00005 2.78346 R9 2.63204 -.00022 .00000 -.00059 -.00070 2.63135 R10 2.87662 .00023 .00000 .00050 .00033 2.87695 R11 2.05269 -.00001 .00000 -.00004 -.00004 2.05265 R12 2.04464 -.00001 .00000 -.00002 -.00002 2.04462 R13 2.89922 .00014 .00000 .00040 .00033 2.89955 R14 2.72418 -.00013 .00000 -.00045 -.00049 2.72369 R15 2.04796 .00002 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.00346 .00346 1.41735 D151 -1.76386 .00002 .00000 .00344 .00344 -1.76043 D152 -2.80829 .00009 .00000 .00411 .00411 -2.80418 D153 .29714 .00009 .00000 .00409 .00409 .30123 D154 -.71457 -.00002 .00000 .00267 .00267 -.71190 D155 2.39087 -.00002 .00000 .00265 .00265 2.39351 D156 -.00611 .00002 .00000 -.00062 -.00062 -.00673 D157 -2.13883 .00018 .00000 .00030 .00029 -2.13854 D158 2.09294 .00024 .00000 .00192 .00192 2.09486 D159 -.01323 .00002 .00000 .00069 .00069 -.01253 D160 3.12126 .00000 .00000 -.00028 -.00028 3.12098 D161 -3.12532 .00001 .00000 .00068 .00068 -3.12463 D162 .00917 -.00001 .00000 -.00029 -.00029 .00888 D163 -3.11893 -.00001 .00000 -.00073 -.00073 -3.11966 D164 .00830 .00006 .00000 .00240 .00240 .01069 D165 -.00765 -.00002 .00000 -.00078 -.00078 -.00842 D166 3.11958 .00005 .00000 .00235 .00235 3.12193 D167 3.12695 -.00001 .00000 -.00064 -.00064 3.12631 D168 -.00619 .00001 .00000 .00052 .00052 -.00567 D169 -3.13452 .00002 .00000 .00071 .00071 -3.13381 D170 -.00830 .00003 .00000 .00118 .00118 -.00711 D171 .00022 -.00001 .00000 -.00023 -.00023 -.00001 D172 3.12644 .00001 .00000 .00024 .00024 3.12668 D173 .00396 .00000 .00000 .00002 .00002 .00397 D174 -3.13498 -.00003 .00000 -.00123 -.00123 -3.13621 D175 .00458 -.00002 .00000 -.00084 -.00084 .00374 D176 -3.13964 .00001 .00000 .00040 .00040 -3.13925 D177 3.11149 -.00003 .00000 -.00120 -.00120 3.11029 D178 -.01090 .00003 .00000 .00110 .00110 -.00980 D179 2.88185 -.00002 .00000 -.00019 -.00019 2.88166 D180 .28008 .00009 .00000 .00297 .00297 .28304 D181 -.27960 -.00008 .00000 -.00256 -.00256 -.28216 D182 -2.88137 .00003 .00000 .00060 .00060 -2.88078 D183 .00870 -.00001 .00000 -.00062 -.00062 .00808 D184 -3.11323 -.00003 .00000 -.00123 -.00123 -3.11445 D185 -3.11302 .00004 .00000 .00175 .00175 -3.11126 D186 .04824 .00003 .00000 .00115 .00115 .04939 D187 .00373 -.00004 .00000 -.00161 -.00161 .00212 D188 3.12646 -.00002 .00000 -.00104 -.00104 3.12542 D189 .00246 .00003 .00000 .00146 .00146 .00392 D190 -3.12406 -.00004 .00000 -.00183 -.00183 -3.12589 Item Value Threshold Converged? Maximum Force .000645 .000450 NO RMS Force .000136 .000300 YES Maximum Displacement .323491 .001800 NO RMS Displacement .070021 .001200 NO Predicted change in Energy=-6.105591D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.083987 -.541235 -1.429908 2 8 0 2.476812 -.542747 -2.206796 3 15 0 3.829670 .373627 -2.174934 4 8 0 4.435021 -.113127 -.716363 5 6 0 5.552955 -.928731 -.561688 6 6 0 5.308898 -1.914969 .572125 7 6 0 4.189264 -2.941361 .354767 8 6 0 2.991246 -2.165387 .874729 9 6 0 3.606340 -1.468573 2.081871 10 7 0 2.878204 -.195739 2.386620 11 6 0 1.772188 -.290736 3.139497 12 6 0 1.023677 .811353 3.430384 13 6 0 1.419163 2.040773 2.913435 14 6 0 2.524115 2.116146 2.092001 15 6 0 2.911386 3.454890 1.517667 16 7 0 3.498671 3.443548 .320730 17 8 0 2.694462 4.445868 2.172708 18 6 0 3.235218 .960668 1.834056 19 8 0 4.916907 -1.207679 1.765217 20 8 0 1.841387 -2.853800 1.185073 21 8 0 4.385632 -4.074461 1.162200 22 8 0 4.722192 -.125897 -3.221380 23 8 0 3.470837 1.789534 -1.985168 24 8 0 .118772 .101931 -2.547859 25 6 0 -1.248600 -.197043 -2.612907 26 6 0 -2.069686 .925686 -1.996879 27 6 0 -1.997056 1.103641 -.474084 28 6 0 -3.357747 1.735998 -.184215 29 6 0 -4.264756 1.072689 -1.221027 30 7 0 -5.003788 -.073839 -.691373 31 6 0 -6.151177 -.020204 .039847 32 7 0 -6.832536 1.051381 .437905 33 6 0 -7.907139 .725515 1.113768 34 7 0 -8.357591 -.485639 1.427552 35 6 0 -7.657049 -1.538094 1.027972 36 7 0 -8.083865 -2.775617 1.371578 37 6 0 -6.490267 -1.332498 .289408 38 7 0 -5.575670 -2.190845 -.283792 39 6 0 -4.727647 -1.408556 -.847982 40 8 0 -3.441561 .620902 -2.244212 41 8 0 -3.318765 3.102556 -.468385 42 8 0 -1.002499 1.955122 -.024396 43 8 0 1.146086 .373818 -.253443 44 8 0 .675512 -1.943862 -1.166370 45 1 0 6.411388 -.314535 -.305331 46 1 0 5.782145 -1.459163 -1.476438 47 1 0 6.240063 -2.417966 .805509 48 1 0 4.067546 -3.213614 -.686856 49 1 0 2.799579 -1.398917 .155174 50 1 0 3.533199 -2.063232 2.981592 51 1 0 1.522484 -1.273083 3.484136 52 1 0 .145361 .713511 4.037443 53 1 0 .867991 2.935676 3.127458 54 1 0 3.695778 4.342892 -.061065 55 1 0 3.404901 2.702220 -.367189 56 1 0 4.086677 .933907 1.191409 57 1 0 1.212127 -2.649274 .482140 58 1 0 5.024197 -4.644583 .758341 59 1 0 -1.460039 -1.140247 -2.126528 60 1 0 -1.513573 -.286549 -3.658593 61 1 0 -1.816003 1.864083 -2.473797 62 1 0 -1.929873 .128270 .004332 63 1 0 -3.704475 1.563793 .828513 64 1 0 -4.991826 1.779137 -1.590928 65 1 0 -8.511815 1.542998 1.464089 66 1 0 -7.693229 -3.552812 .889018 67 1 0 -9.022288 -2.855529 1.690543 68 1 0 -3.876612 -1.728927 -1.407617 69 1 0 -2.444432 3.409478 -.251897 70 1 0 -.144410 1.511317 -.108451 --------------------------------------------------------------------- Rotational constants (GHZ): .1222178 .0375690 .0365511 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6554.8549110093 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.31966727 A.U. after 13 cycles Convg = .5791D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000145221 .000541369 -.000794541 2 8 -.000080820 .000287922 -.000298293 3 15 -.000640325 -.000834382 .000206150 4 8 .000806690 .001353592 .000438141 5 6 -.000698347 -.000791353 -.000078368 6 6 .000465359 -.000125261 -.000118126 7 6 -.000096399 -.000034198 -.000165057 8 6 -.000186224 -.000067477 -.000684292 9 6 .000273193 -.000661657 -.000466207 10 7 -.000884975 -.000409757 .000287332 11 6 .000958644 -.000361512 -.000433581 12 6 -.000456810 .000804097 .000066739 13 6 -.001029917 -.000631365 .000489055 14 6 .000414846 -.000420444 -.001595605 15 6 .000139380 .000732730 .000070158 16 7 -.000130111 -.000147162 -.000197371 17 8 -.000038019 -.000428789 -.000182598 18 6 -.000166579 .000087006 -.000660991 19 8 -.000063492 .000774500 .000268431 20 8 -.000559450 .001088221 .001744768 21 8 .000189526 -.000006962 .000232347 22 8 .000127039 .000340787 .000101012 23 8 .000212917 .000365951 .000438483 24 8 -.000036170 .000085985 -.000421896 25 6 .000014878 .000296909 .000119039 26 6 .000139450 -.000002355 .000024527 27 6 .000051944 .000132932 -.000122549 28 6 -.000079074 .000127060 -.000086388 29 6 .000139273 .000141158 -.000149603 30 7 -.000005383 -.000308044 -.000044338 31 6 -.000025004 .000083077 -.000114882 32 7 -.000011900 -.000040751 -.000016574 33 6 .000033619 .000004321 .000074212 34 7 -.000040416 -.000011777 -.000063059 35 6 .000125595 .000170017 .000068984 36 7 .000012372 -.000130479 .000132956 37 6 -.000015669 -.000080820 .000092280 38 7 -.000118821 .000032719 -.000128552 39 6 .000088747 .000148643 .000198108 40 8 -.000207039 -.000098398 .000089635 41 8 .000032717 -.000026284 .000261475 42 8 -.000145273 -.000126298 .000064532 43 8 -.000102486 .000189930 .001312907 44 8 -.000399653 .000882403 .001342532 45 1 -.000014209 .000038398 -.000015312 46 1 .000126858 -.000155749 .000035022 47 1 -.000003602 -.000132012 .000005050 48 1 -.000254344 .000151388 .000146570 49 1 .000341803 -.000244203 .000904712 50 1 -.000090000 .000040046 .000018215 51 1 .000022522 .000018599 .000027363 52 1 .000022667 .000015139 -.000015350 53 1 .000067918 .000072809 .000074290 54 1 .000032680 .000006414 .000008014 55 1 .000052658 -.000164372 -.000207648 56 1 .000228680 -.000110511 -.000157800 57 1 .001205100 -.002356349 -.001871471 58 1 -.000078787 -.000014841 -.000064693 59 1 .000040381 -.000077544 .000031470 60 1 -.000133247 -.000071149 .000009268 61 1 .000145180 -.000011701 .000007494 62 1 -.000057195 .000015966 .000066731 63 1 -.000047073 -.000024270 -.000030113 64 1 -.000019369 -.000031996 .000038016 65 1 -.000025744 .000003438 -.000026628 66 1 -.000036239 -.000006989 -.000053305 67 1 -.000038949 -.000011483 -.000057141 68 1 .000034944 -.000009119 -.000060651 69 1 .000067981 -.000064316 -.000160615 70 1 .000256333 .000198604 .000047579 ------------------------------------------------------------------- Cartesian Forces: Max .002356349 RMS .000436517 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .010488011 RMS .001538207 Search for a local minimum. Step number 2 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 2 1 Trust test=-8.73D+00 RLast= 1.02D-01 DXMaxT set to 1.50D-01 Eigenvalues --- .00297 .00473 .00573 .00667 .00713 Eigenvalues --- .00848 .00880 .00986 .01136 .01438 Eigenvalues --- .01561 .01623 .01694 .01737 .01831 Eigenvalues --- .01897 .02053 .02167 .02232 .02259 Eigenvalues --- .02281 .02310 .02320 .02326 .02328 Eigenvalues --- .02378 .02389 .02443 .02509 .02517 Eigenvalues --- .02524 .02558 .02578 .02652 .02717 Eigenvalues --- .02725 .02754 .02986 .03142 .03189 Eigenvalues --- .03231 .03295 .03391 .03627 .03829 Eigenvalues --- .03927 .04009 .04230 .04367 .04902 Eigenvalues --- .05094 .05116 .05327 .05389 .05426 Eigenvalues --- .05619 .05673 .05869 .05925 .06006 Eigenvalues --- .06025 .06039 .06237 .06311 .06809 Eigenvalues --- .07064 .07334 .07690 .07925 .08057 Eigenvalues --- .08247 .08430 .08660 .10209 .10269 Eigenvalues --- .11381 .11529 .13069 .13163 .14001 Eigenvalues --- .14203 .15551 .15722 .15809 .15991 Eigenvalues --- .15993 .15998 .15999 .16000 .16000 Eigenvalues --- .16000 .16000 .16000 .16000 .16000 Eigenvalues --- .16000 .16000 .16183 .16298 .16406 Eigenvalues --- .16522 .16896 .17100 .17883 .18482 Eigenvalues --- .18788 .19207 .19831 .20635 .21562 Eigenvalues --- .21790 .21976 .23146 .23401 .23456 Eigenvalues --- .23604 .23885 .24438 .24810 .24874 Eigenvalues --- .24983 .24992 .24995 .24996 .24998 Eigenvalues --- .24999 .25000 .25000 .25000 .26289 Eigenvalues --- .26411 .28494 .28760 .28907 .29057 Eigenvalues --- .30015 .30075 .31630 .32461 .34919 Eigenvalues --- .35251 .35494 .35546 .35584 .35657 Eigenvalues --- .35701 .35748 .35756 .35880 .36096 Eigenvalues --- .36544 .36566 .36902 .36958 .37154 Eigenvalues --- .37381 .37511 .37603 .37610 .39358 Eigenvalues --- .41145 .42055 .44334 .44763 .44903 Eigenvalues --- .44946 .45002 .45045 .45137 .45582 Eigenvalues --- .45977 .46180 .46528 .47125 .48275 Eigenvalues --- .48309 .48445 .48632 .48698 .48819 Eigenvalues --- .49834 .49902 .51132 .51196 .52077 Eigenvalues --- .52692 .53936 .54324 .55131 .55835 Eigenvalues --- .57328 .57893 .57969 .58475 .58738 Eigenvalues --- .59934 .62796 .68238 .78765 .81801 Eigenvalues --- .86285 .90215 .92320 1.010031000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.95920391D-04. Quartic linear search produced a step of -.90775. Maximum step size ( .150) exceeded in Quadratic search. -- Step size scaled by .819 Iteration 1 RMS(Cart)= .08093884 RMS(Int)= .00054093 Iteration 2 RMS(Cart)= .00202883 RMS(Int)= .00007706 Iteration 3 RMS(Cart)= .00000146 RMS(Int)= .00007706 Iteration 4 RMS(Cart)= .00000000 RMS(Int)= .00007706 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01381 .00084 .00038 -.00078 -.00042 3.01339 R2 3.04423 .00021 -.00014 .00034 .00020 3.04443 R3 2.81895 .00120 -.00024 .00065 .00042 2.81937 R4 2.80525 -.00071 .00000 -.00013 -.00020 2.80505 R5 3.08841 -.00111 .00035 -.00098 -.00063 3.08778 R6 3.12280 -.00061 .00042 -.00087 -.00032 3.12248 R7 2.76519 -.00009 .00011 -.00025 -.00014 2.76504 R8 2.78346 .00039 -.00004 .00013 .00009 2.78355 R9 2.63135 .00179 .00063 -.00105 -.00034 2.63100 R10 2.87695 .00024 -.00030 .00093 .00074 2.87770 R11 2.05265 .00001 .00004 -.00009 -.00005 2.05260 R12 2.04462 .00006 .00002 -.00002 -.00001 2.04461 R13 2.89955 .00048 -.00030 .00061 .00036 2.89991 R14 2.72369 .00034 .00045 -.00117 -.00069 2.72300 R15 2.04801 .00006 -.00005 .00012 .00007 2.04809 R16 2.87073 -.00429 -.00105 .00129 .00023 2.87096 R17 2.65533 .00012 .00013 -.00027 -.00014 2.65519 R18 2.04747 -.00014 -.00010 .00021 .00010 2.04757 R19 2.87902 -.00134 -.00004 .00019 .00008 2.87910 R20 2.59959 .00014 -.00048 .00115 .00069 2.60028 R21 2.01942 -.00079 .00003 -.00023 -.00020 2.01922 R22 2.83028 -.00108 .00095 -.00242 -.00146 2.82881 R23 2.59514 .00220 -.00050 .00148 .00095 2.59608 R24 2.04271 -.00001 -.00001 .00001 .00001 2.04272 R25 2.53471 -.00072 .00030 -.00078 -.00047 2.53424 R26 2.51416 -.00023 -.00050 .00112 .00062 2.51478 R27 2.57688 .00085 -.00002 .00016 .00014 2.57703 R28 2.02310 -.00002 .00004 -.00009 -.00005 2.02304 R29 2.62877 -.00004 .00052 -.00120 -.00068 2.62809 R30 2.02609 -.00003 .00000 .00001 .00000 2.02609 R31 2.60573 .00119 -.00034 .00094 .00060 2.60634 R32 2.02690 .00004 .00004 -.00007 -.00004 2.02686 R33 2.84846 .00016 -.00040 .00095 .00055 2.84901 R34 2.60983 -.00090 .00047 -.00121 -.00074 2.60909 R35 2.51957 .00031 -.00050 .00119 .00069 2.52026 R36 2.28193 -.00043 .00028 -.00068 -.00039 2.28154 R37 1.88352 .00001 -.00012 .00028 .00016 1.88368 R38 1.91935 .00026 -.00006 .00018 .00012 1.91947 R39 2.01652 .00027 -.00016 .00043 .00026 2.01678 R40 1.82426 -.00027 .00054 -.00143 -.00101 1.82325 R41 1.78867 -.00001 .00001 -.00003 -.00002 1.78865 R42 2.64786 -.00022 .00019 -.00048 -.00029 2.64757 R43 2.87474 -.00004 -.00016 .00033 .00018 2.87492 R44 2.04484 .00007 -.00007 .00018 .00011 2.04495 R45 2.04552 .00002 .00000 .00000 .00000 2.04552 R46 2.90050 .00003 -.00018 .00044 .00025 2.90075 R47 2.69649 .00012 -.00027 .00064 .00037 2.69687 R48 2.04614 .00002 .00006 -.00012 -.00007 2.04607 R49 2.88787 -.00001 -.00036 .00082 .00046 2.88833 R50 2.61601 .00016 -.00037 .00088 .00050 2.61652 R51 2.05689 .00000 .00060 -.00136 -.00076 2.05613 R52 2.88926 .00005 .00037 -.00085 -.00048 2.88878 R53 2.63869 -.00010 .00033 -.00076 -.00043 2.63826 R54 2.04884 -.00001 -.00004 .00010 .00006 2.04890 R55 2.76523 .00014 -.00043 .00102 .00058 2.76581 R56 2.62439 -.00012 .00031 -.00074 -.00042 2.62396 R57 2.03926 -.00002 .00005 -.00011 -.00006 2.03920 R58 2.57313 .00002 .00004 -.00008 -.00004 2.57308 R59 2.59261 -.00013 .00007 -.00019 -.00011 2.59250 R60 2.51482 -.00001 .00015 -.00035 -.00020 2.51463 R61 2.60438 .00003 -.00020 .00045 .00026 2.60464 R62 2.47673 .00001 .00011 -.00026 -.00014 2.47659 R63 2.51288 .00000 .00000 .00000 .00000 2.51288 R64 2.03234 .00001 .00004 -.00008 -.00004 2.03230 R65 2.50564 -.00001 .00020 -.00046 -.00026 2.50538 R66 2.55756 .00016 -.00024 .00058 .00033 2.55790 R67 2.63827 -.00001 .00018 -.00041 -.00023 2.63804 R68 1.87977 .00002 -.00006 .00013 .00007 1.87985 R69 1.87908 .00002 -.00005 .00012 .00007 1.87915 R70 2.60605 -.00001 .00012 -.00027 -.00015 2.60589 R71 2.42698 .00005 .00002 -.00004 -.00002 2.42695 R72 2.01776 .00006 .00006 -.00013 -.00007 2.01769 R73 1.79825 .00000 -.00005 .00012 .00007 1.79832 R74 1.83249 .00011 .00018 -.00039 -.00021 1.83229 R75 3.26234 -.00003 -.00122 .00282 .00160 3.26394 R76 3.53694 -.00018 .00233 -.00599 -.00379 3.53315 A1 1.75747 -.00053 -.00024 .00042 .00014 1.75761 A2 1.92666 -.00050 -.00053 .00106 .00056 1.92722 A3 1.90275 .00200 .00131 -.00212 -.00078 1.90197 A4 1.90429 .00016 .00069 -.00169 -.00101 1.90328 A5 1.91301 .00027 -.00088 .00200 .00103 1.91404 A6 2.03873 -.00129 -.00035 .00037 .00009 2.03882 A7 2.36442 -.01049 .00014 -.00324 -.00295 2.36147 A8 1.72671 -.00026 .00394 -.00768 -.00295 1.72376 A9 1.87502 .00483 .00088 -.00020 .00054 1.87556 A10 1.91755 -.00400 -.00213 .00295 .00067 1.91822 A11 1.88307 .00011 -.00104 .00232 .00111 1.88417 A12 1.83245 -.00063 .00004 -.00080 -.00090 1.83155 A13 2.17594 -.00020 -.00056 .00116 .00060 2.17654 A14 2.17084 .00905 -.00146 .00536 .00352 2.17436 A15 1.91078 .00374 .00559 -.01007 -.00382 1.90695 A16 1.90658 -.00544 -.00354 .00260 -.00112 1.90546 A17 1.94261 .00309 .00069 .00257 .00303 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Maximum Force .010488 .000450 NO RMS Force .001538 .000300 NO Maximum Displacement .431681 .001800 NO RMS Displacement .081480 .001200 NO Predicted change in Energy=-9.525983D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.141500 -.371662 -1.445985 2 8 0 2.539915 -.254214 -2.203252 3 15 0 3.873227 .676561 -2.042513 4 8 0 4.469959 .022782 -.647262 5 6 0 5.598168 -.789799 -.574707 6 6 0 5.351694 -1.902491 .435303 7 6 0 4.273386 -2.932252 .072352 8 6 0 3.034573 -2.259474 .638767 9 6 0 3.592026 -1.672047 1.929266 10 7 0 2.813299 -.460380 2.337054 11 6 0 1.704733 -.665025 3.063447 12 6 0 .903690 .375427 3.431519 13 6 0 1.246167 1.658026 3.017075 14 6 0 2.355319 1.848589 2.219769 15 6 0 2.677702 3.245436 1.753042 16 7 0 3.276993 3.354534 .566616 17 8 0 2.400907 4.171777 2.476193 18 6 0 3.122850 .751522 1.882735 19 8 0 4.902190 -1.339901 1.683412 20 8 0 1.906367 -3.019811 .844775 21 8 0 4.488136 -4.141433 .754975 22 8 0 4.786468 .327122 -3.131013 23 8 0 3.484917 2.050989 -1.682139 24 8 0 .173492 .388341 -2.485608 25 6 0 -1.189840 .083687 -2.592417 26 6 0 -2.024905 1.122861 -1.859435 27 6 0 -1.971243 1.126773 -.325367 28 6 0 -3.337402 1.720066 .017763 29 6 0 -4.229157 1.177853 -1.099208 30 7 0 -4.971491 -.022026 -.710147 31 6 0 -6.129906 -.050168 .004894 32 7 0 -6.820770 .970542 .506465 33 6 0 -7.904638 .571283 1.125637 34 7 0 -8.355934 -.667576 1.298332 35 6 0 -7.646420 -1.668927 .796727 36 7 0 -8.073853 -2.937388 .997936 37 6 0 -6.468817 -1.382491 .103913 38 7 0 -5.542498 -2.171916 -.544413 39 6 0 -4.689075 -1.331224 -1.007341 40 8 0 -3.392948 .845998 -2.156881 41 8 0 -3.300285 3.110201 -.105766 42 8 0 -.984846 1.924765 .229030 43 8 0 1.177086 .393098 -.165446 44 8 0 .757538 -1.802974 -1.360689 45 1 0 6.443086 -.197645 -.235185 46 1 0 5.848489 -1.207265 -1.540992 47 1 0 6.291325 -2.401390 .642221 48 1 0 4.188659 -3.091014 -.996128 49 1 0 2.829017 -1.428728 -.001042 50 1 0 3.514945 -2.358413 2.760791 51 1 0 1.495565 -1.682265 3.323341 52 1 0 .024416 .189516 4.016197 53 1 0 .650816 2.507342 3.290252 54 1 0 3.431680 4.289041 .256172 55 1 0 3.231585 2.662789 -.175778 56 1 0 3.979102 .813954 1.248758 57 1 0 1.284542 -2.768358 .151243 58 1 0 5.156586 -4.642258 .309734 59 1 0 -1.392888 -.911392 -2.218764 60 1 0 -1.448588 .111418 -3.643114 61 1 0 -1.770427 2.110398 -2.223202 62 1 0 -1.906000 .104043 .040188 63 1 0 -3.695778 1.431335 .999475 64 1 0 -4.954780 1.918895 -1.397166 65 1 0 -8.516671 1.344706 1.554377 66 1 0 -7.673920 -3.656453 .438857 67 1 0 -9.017305 -3.052671 1.290246 68 1 0 -3.827568 -1.587811 -1.583522 69 1 0 -2.427760 3.391473 .149545 70 1 0 -.123841 1.497065 .103027 --------------------------------------------------------------------- Rotational constants (GHZ): .1253718 .0379904 .0367827 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6588.4546390462 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.31741880 A.U. after 13 cycles Convg = .7418D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.002342282 -.001259887 -.001754705 2 8 .000145980 .001811828 -.000381630 3 15 .002330001 -.007408558 -.001397995 4 8 -.000225575 .002276781 -.002412564 5 6 .000045147 -.001008629 .000655053 6 6 .000126798 .000230981 .000687725 7 6 -.000148927 -.000279433 .000006114 8 6 .000232170 -.000137893 -.000099953 9 6 .000113223 .000405854 .000041342 10 7 -.000163663 -.001160039 .000344785 11 6 -.000202442 .000299094 .000363465 12 6 -.000227509 -.000863364 -.000098075 13 6 .000670214 .000495206 -.000087555 14 6 -.000580869 .000504303 .001144878 15 6 .003511483 .002407651 -.005367790 16 7 -.004222861 .002986744 .013811441 17 8 -.001495370 .001210643 .003240792 18 6 -.000146301 .000288287 .000526985 19 8 .000675740 .000121636 -.000602356 20 8 -.000031366 .000405452 .001093000 21 8 .000197872 -.000092388 .000073730 22 8 -.000815044 .001648741 .000806677 23 8 -.000315507 -.004225399 -.010269128 24 8 .001039093 -.000122781 .000006274 25 6 -.000663083 .000318271 -.000036247 26 6 -.000276477 .000387471 -.000187843 27 6 .000043313 .000549958 -.000565692 28 6 -.000174237 .000238128 .000091864 29 6 -.000428294 -.000271110 -.000127074 30 7 -.000014951 -.000246687 -.000217745 31 6 -.000163332 -.000160334 -.000317663 32 7 .000095798 -.000033978 -.000071071 33 6 -.000021828 .000006003 .000266181 34 7 -.000133988 .000084069 -.000189615 35 6 .000213742 -.000078566 .000454770 36 7 -.000043243 -.000067096 -.000019888 37 6 -.000023804 .000109961 .000183237 38 7 -.000165322 .000149450 -.000357164 39 6 .000373796 .000130629 .000469814 40 8 .000421370 -.000576385 .000167266 41 8 .000393139 -.000261423 .000045723 42 8 .000340232 -.000524583 .000195336 43 8 -.000097024 .000257152 -.000898705 44 8 -.000713292 .001491485 .000235395 45 1 -.000197280 .000046831 -.000160881 46 1 -.000130876 .000022164 -.000067627 47 1 -.000042103 -.000189277 .000012593 48 1 -.000141153 .000079712 .000047613 49 1 .000624327 -.000953933 .000906691 50 1 -.000242684 .000035471 -.000121473 51 1 -.000006640 .000046933 .000232464 52 1 -.000015409 -.000014252 .000095171 53 1 .000094721 .000015018 -.000014325 54 1 .000047445 -.000010688 .000215538 55 1 .001855003 .000631577 -.000182686 56 1 .000009540 .000308477 .000651393 57 1 .001462580 -.000539863 -.001117298 58 1 -.000017940 -.000007807 -.000003215 59 1 -.000027518 -.000007542 .000156945 60 1 -.000128218 -.000126039 .000040829 61 1 .000263360 .000057837 .000127871 62 1 -.000056790 -.000200785 .000231759 63 1 -.000052210 -.000011241 -.000069721 64 1 .000122089 .000154872 .000258755 65 1 -.000069076 .000002360 -.000071445 66 1 -.000052884 -.000005777 -.000040337 67 1 -.000031886 -.000026585 -.000036432 68 1 .000032112 .000022002 -.000234942 69 1 -.000001676 .000196251 -.000022921 70 1 -.000429353 .000437038 -.000285709 ------------------------------------------------------------------- Cartesian Forces: Max .013811441 RMS .001579151 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .053221363 RMS .008102910 Search for a local minimum. Step number 3 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Iteration 1 RMS(Cart)= .08076547 RMS(Int)= .00052471 Iteration 2 RMS(Cart)= .00210514 RMS(Int)= .00000055 Iteration 3 RMS(Cart)= .00000174 RMS(Int)= .00000000 Iteration 4 RMS(Cart)= .00000000 RMS(Int)= .00000000 Update second derivatives using D2CorX and points 3 2 1 Trust test=-5.59D+00 RLast= 1.02D-01 DXMaxT set to 7.50D-02 Energy Rises -- skip Quadratic search. Quartic linear search produced a step of -.90775. Iteration 1 RMS(Cart)= .06016455 RMS(Int)= .00090856 Iteration 2 RMS(Cart)= .00470385 RMS(Int)= .00007441 Iteration 3 RMS(Cart)= .00001952 RMS(Int)= .00007433 Iteration 4 RMS(Cart)= .00000005 RMS(Int)= .00007433 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01381 .00084 .00038 .00000 -.00002 3.01379 R2 3.04423 .00021 -.00014 .00000 .00007 3.04430 R3 2.81895 .00120 -.00024 .00000 .00018 2.81913 R4 2.80525 -.00071 .00000 .00000 -.00014 2.80512 R5 3.08841 -.00111 .00035 .00000 -.00027 3.08814 R6 3.12280 -.00061 .00042 .00000 -.00003 3.12277 R7 2.76519 -.00009 .00011 .00000 -.00004 2.76515 R8 2.78346 .00039 -.00004 .00000 .00005 2.78351 R9 2.63135 .00179 .00063 .00000 .00021 2.63156 R10 2.87695 .00024 -.00030 .00000 .00033 2.87728 R11 2.05265 .00001 .00004 .00000 -.00001 2.05264 R12 2.04462 .00006 .00002 .00000 .00001 2.04463 R13 2.89955 .00048 -.00030 .00000 .00002 2.89957 R14 2.72369 .00034 .00045 .00000 -.00027 2.72342 R15 2.04801 .00006 -.00005 .00000 .00003 2.04804 R16 2.87073 -.00429 -.00105 .00000 -.00080 2.86993 R17 2.65533 .00012 .00013 .00000 -.00002 2.65532 R18 2.04747 -.00014 -.00010 .00000 .00000 2.04747 R19 2.87902 -.00134 -.00004 .00000 .00009 2.87910 R20 2.59959 .00014 -.00048 .00000 .00018 2.59978 R21 2.01942 -.00079 .00003 .00000 -.00016 2.01925 R22 2.83028 -.00108 .00095 .00000 -.00051 2.82977 R23 2.59514 .00220 -.00050 .00000 .00047 2.59561 R24 2.04271 -.00001 -.00001 .00000 .00000 2.04271 R25 2.53471 -.00072 .00030 .00000 -.00017 2.53454 R26 2.51416 -.00023 -.00050 .00000 .00011 2.51428 R27 2.57688 .00085 -.00002 .00000 .00013 2.57701 R28 2.02310 -.00002 .00004 .00000 -.00001 2.02308 R29 2.62877 -.00004 .00052 .00000 -.00015 2.62862 R30 2.02609 -.00003 .00000 .00000 .00000 2.02609 R31 2.60573 .00119 -.00034 .00000 .00026 2.60600 R32 2.02690 .00004 .00004 .00000 .00000 2.02690 R33 2.84846 .00016 -.00040 .00000 .00015 2.84861 R34 2.60983 -.00090 .00047 .00000 -.00027 2.60956 R35 2.51957 .00031 -.00050 .00000 .00018 2.51975 R36 2.28193 -.00043 .00028 .00000 -.00011 2.28182 R37 1.88352 .00001 -.00012 .00000 .00004 1.88355 R38 1.91935 .00026 -.00006 .00000 .00006 1.91940 R39 2.01652 .00027 -.00016 .00000 .00010 2.01662 R40 1.82426 -.00027 .00054 .00000 -.00036 1.82390 R41 1.78867 -.00001 .00001 .00000 .00000 1.78866 R42 2.64786 -.00022 .00019 .00000 -.00009 2.64777 R43 2.87474 -.00004 -.00016 .00000 .00003 2.87477 R44 2.04484 .00007 -.00007 .00000 .00004 2.04488 R45 2.04552 .00002 .00000 .00000 .00000 2.04552 R46 2.90050 .00003 -.00018 .00000 .00007 2.90057 R47 2.69649 .00012 -.00027 .00000 .00010 2.69660 R48 2.04614 .00002 .00006 .00000 -.00001 2.04613 R49 2.88787 -.00001 -.00036 .00000 .00010 2.88797 R50 2.61601 .00016 -.00037 .00000 .00013 2.61614 R51 2.05689 .00000 .00060 .00000 -.00017 2.05672 R52 2.88926 .00005 .00037 .00000 -.00011 2.88915 R53 2.63869 -.00010 .00033 .00000 -.00011 2.63858 R54 2.04884 -.00001 -.00004 .00000 .00001 2.04885 R55 2.76523 .00014 -.00043 .00000 .00015 2.76538 R56 2.62439 -.00012 .00031 .00000 -.00011 2.62427 R57 2.03926 -.00002 .00005 .00000 -.00002 2.03925 R58 2.57313 .00002 .00004 .00000 -.00001 2.57312 R59 2.59261 -.00013 .00007 .00000 -.00004 2.59257 R60 2.51482 -.00001 .00015 .00000 -.00004 2.51478 R61 2.60438 .00003 -.00020 .00000 .00006 2.60444 R62 2.47673 .00001 .00011 .00000 -.00003 2.47670 R63 2.51288 .00000 .00000 .00000 .00000 2.51288 R64 2.03234 .00001 .00004 .00000 -.00001 2.03234 R65 2.50564 -.00001 .00020 .00000 -.00006 2.50558 R66 2.55756 .00016 -.00024 .00000 .00009 2.55765 R67 2.63827 -.00001 .00018 .00000 -.00005 2.63822 R68 1.87977 .00002 -.00006 .00000 .00002 1.87979 R69 1.87908 .00002 -.00005 .00000 .00002 1.87910 R70 2.60605 -.00001 .00012 .00000 -.00003 2.60601 R71 2.42698 .00005 .00002 .00000 .00000 2.42697 R72 2.01776 .00006 .00006 .00000 .00000 2.01775 R73 1.79825 .00000 -.00005 .00000 .00002 1.79826 R74 1.83249 .00011 .00018 .00000 -.00004 1.83246 R75 3.26234 -.00003 -.00122 .00000 .00038 3.26272 R76 3.53694 -.00018 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-.00022 .00000 -.00004 3.12665 D173 .00397 -.00001 -.00002 .00000 -.00003 .00395 D174 -3.13621 .00004 .00112 .00000 -.00017 -3.13638 D175 .00374 .00002 .00076 .00000 -.00012 .00363 D176 -3.13925 -.00003 -.00036 .00000 .00002 -3.13922 D177 3.11029 .00002 .00109 .00000 -.00018 3.11011 D178 -.00980 -.00002 -.00100 .00000 .00017 -.00963 D179 2.88166 -.00007 .00017 .00000 -.00023 2.88143 D180 .28304 .00003 -.00269 .00000 .00069 .28374 D181 -.28216 -.00002 .00232 .00000 -.00059 -.28275 D182 -2.88078 .00008 -.00054 .00000 .00033 -2.88044 D183 .00808 .00001 .00057 .00000 -.00010 .00798 D184 -3.11445 .00005 .00111 .00000 -.00012 -3.11457 D185 -3.11126 -.00004 -.00159 .00000 .00027 -3.11100 D186 .04939 .00000 -.00104 .00000 .00025 .04964 D187 .00212 .00006 .00146 .00000 -.00016 .00196 D188 3.12542 .00003 .00094 .00000 -.00014 3.12528 D189 .00392 -.00006 -.00132 .00000 .00013 .00405 D190 -3.12589 .00000 .00166 .00000 -.00038 -3.12627 Item Value Threshold Converged? Maximum Force .053221 .000450 NO RMS Force .008103 .000300 NO Maximum Displacement .281804 .001800 NO RMS Displacement .063663 .001200 NO Predicted change in Energy=-3.685115D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 -1.158876 .234092 -1.436089 2 8 0 -2.562530 .073190 -2.175916 3 15 0 -3.894032 -.847783 -1.953595 4 8 0 -4.487745 -.117517 -.595296 5 6 0 -5.629544 .679003 -.562582 6 6 0 -5.396568 1.865395 .362881 7 6 0 -4.370312 2.907304 -.101405 8 6 0 -3.090661 2.317764 .465511 9 6 0 -3.585478 1.799138 1.809908 10 7 0 -2.748679 .645061 2.268412 11 6 0 -1.620034 .935285 2.932341 12 6 0 -.773293 -.051525 3.343320 13 6 0 -1.092080 -1.371378 3.041232 14 6 0 -2.224066 -1.652724 2.305576 15 6 0 -2.526390 -3.088688 1.960732 16 7 0 -3.166012 -3.304253 .810793 17 8 0 -2.199512 -3.948795 2.742650 18 6 0 -3.037160 -.605793 1.918600 19 8 0 -4.889137 1.405386 1.630902 20 8 0 -1.984902 3.128086 .581042 21 8 0 -4.609773 4.150246 .508640 22 8 0 -4.814370 -.564700 -3.055391 23 8 0 -3.499338 -2.198166 -1.517341 24 8 0 -.197448 -.582208 -2.438360 25 6 0 1.163339 -.278663 -2.577315 26 6 0 2.011943 -1.263566 -1.787330 27 6 0 1.963296 -1.173124 -.255855 28 6 0 3.338246 -1.725869 .117681 29 6 0 4.219563 -1.241850 -1.034038 30 7 0 4.946538 -.010019 -.724908 31 6 0 6.104995 .080722 -.015121 32 7 0 6.809885 -.895395 .551674 33 6 0 7.888444 -.441664 1.142054 34 7 0 8.322951 .811846 1.232476 35 6 0 7.599262 1.768558 .667695 36 7 0 8.010055 3.052952 .783496 37 6 0 6.425591 1.421078 -.003725 38 7 0 5.488594 2.153459 -.701875 39 6 0 4.645888 1.272935 -1.106783 40 8 0 3.375085 -.987804 -2.106802 41 8 0 3.318299 -3.121447 .078217 42 8 0 .989447 -1.946931 .351941 43 8 0 -1.185687 -.457325 -.114444 44 8 0 -.774139 1.667768 -1.433524 45 1 0 -6.456642 .094939 -.169352 46 1 0 -5.902849 1.022043 -1.551668 47 1 0 -6.348080 2.343159 .565211 48 1 0 -4.324526 2.998272 -1.180082 49 1 0 -2.876165 1.453524 -.125137 50 1 0 -3.506631 2.541294 2.591864 51 1 0 -1.433448 1.974710 3.108127 52 1 0 .121566 .202458 3.876470 53 1 0 -.461322 -2.180227 3.354844 54 1 0 -3.306333 -4.263544 .579386 55 1 0 -3.164729 -2.672081 .015800 56 1 0 -3.915811 -.740214 1.328084 57 1 0 -1.379969 2.853356 -.119049 58 1 0 -5.310132 4.596470 .054456 59 1 0 1.364473 .738582 -2.267956 60 1 0 1.412690 -.370665 -3.626623 61 1 0 1.767601 -2.274509 -2.088446 62 1 0 1.886285 -.130214 .045740 63 1 0 3.695963 -1.373750 1.078699 64 1 0 4.953436 -1.991504 -1.286930 65 1 0 8.511642 -1.176989 1.619074 66 1 0 7.599714 3.728465 .179497 67 1 0 8.951620 3.200265 1.067284 68 1 0 3.781497 1.478984 -1.698776 69 1 0 2.451812 -3.397807 .358161 70 1 0 .122758 -1.537478 .205297 --------------------------------------------------------------------- Rotational constants (GHZ): .1268160 .0383140 .0369658 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6605.1881890585 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.31643638 A.U. after 17 cycles Convg = .3551D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.002521119 -.002329991 -.001618821 2 8 .000273870 .001336419 -.000067183 3 15 .002985025 -.006621766 -.001704306 4 8 -.000822405 .000924061 -.003017877 5 6 .000954958 -.000074025 .000582697 6 6 -.000598731 .000246950 .001166139 7 6 -.000038707 -.000355420 .000179870 8 6 .000714515 .000167384 .000479522 9 6 -.001347241 .001262957 .000466383 10 7 .001263632 -.000935688 .000666285 11 6 -.001178342 .000554429 .000617551 12 6 .000319833 -.001512628 -.000142159 13 6 .001681876 .001265225 -.000157668 14 6 -.000228158 .000651047 .003193976 15 6 .003000596 .002194608 -.004559253 16 7 -.004700880 .003035164 .013817886 17 8 -.001547688 .001438937 .003112676 18 6 -.000027122 .000496512 .001523459 19 8 .001165994 -.000579638 -.001043869 20 8 .000243743 -.000621884 -.000862186 21 8 .000019087 -.000052451 -.000172712 22 8 -.001013807 .001411182 .000755307 23 8 -.000020824 -.004716739 -.010974983 24 8 .001029013 -.000098025 .000161497 25 6 -.000653055 .000203203 .000064955 26 6 -.000120960 .000153455 -.000066836 27 6 -.000359614 -.000125825 -.000305123 28 6 -.000151602 .000406069 -.000023194 29 6 -.000156139 -.000003771 -.000000125 30 7 .000101736 -.000229705 -.000123978 31 6 -.000181607 .000030049 -.000074532 32 7 .000099094 -.000070400 -.000084528 33 6 -.000038007 .000028222 .000140240 34 7 .000001227 -.000018650 -.000119497 35 6 .000025411 .000060594 .000189482 36 7 .000039607 -.000059038 .000073536 37 6 .000022275 .000017568 .000079882 38 7 -.000027529 .000079215 -.000185716 39 6 .000087346 .000080867 .000248173 40 8 .000290619 -.000198816 .000045743 41 8 .000196715 -.000387469 .000120373 42 8 .000708501 -.000388122 .000104982 43 8 -.000540337 -.000189891 -.003122717 44 8 -.000141613 .001062577 -.001136254 45 1 -.000171074 -.000005086 -.000201727 46 1 -.000264944 .000174293 -.000108618 47 1 -.000025644 -.000101487 -.000022966 48 1 .000110263 -.000061889 -.000115233 49 1 .000225048 -.000799114 .000056202 50 1 -.000073807 -.000089721 -.000195630 51 1 -.000038604 .000041096 .000210350 52 1 -.000016849 -.000072240 .000157455 53 1 .000099476 -.000045794 -.000205151 54 1 .000081433 .000044206 .000226914 55 1 .001834367 .001022959 .000264796 56 1 -.000212512 .000426235 .000859456 57 1 .000458814 .001367978 .001213735 58 1 .000044414 .000015201 .000059114 59 1 .000055370 -.000026156 .000039303 60 1 -.000063357 -.000083183 .000051762 61 1 .000155061 .000010347 .000035202 62 1 -.000009935 -.000013836 .000119652 63 1 -.000039574 -.000039887 -.000049533 64 1 .000052135 .000016329 .000093728 65 1 -.000019228 -.000005414 -.000036490 66 1 -.000049370 -.000012770 -.000044703 67 1 -.000041620 -.000016205 -.000038827 68 1 .000016294 -.000013863 -.000095384 69 1 .000018259 .000275041 -.000016863 70 1 -.000933603 .000456211 -.000483646 ------------------------------------------------------------------- Cartesian Forces: Max .013817886 RMS .001639028 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .072737236 RMS .010059136 Search for a local minimum. Step number 4 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 Energy Rises -- skip Quadratic search. Quartic linear search produced a step of -.98897. Iteration 1 RMS(Cart)= .07572656 RMS(Int)= .00043075 Iteration 2 RMS(Cart)= .00172656 RMS(Int)= .00000042 Iteration 3 RMS(Cart)= .00000113 RMS(Int)= .00000023 Iteration 4 RMS(Cart)= .00000000 RMS(Int)= .00000023 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01379 .00043 .00044 .00000 .00044 3.01423 R2 3.04430 -.00013 -.00022 .00000 -.00022 3.04408 R3 2.81913 -.00260 -.00043 .00000 -.00043 2.81870 R4 2.80512 .00134 .00013 .00000 .00013 2.80525 R5 3.08814 .00292 .00065 .00000 .00065 3.08879 R6 3.12277 .00749 .00049 .00000 .00049 3.12326 R7 2.76515 -.00155 .00015 .00000 .00015 2.76530 R8 2.78351 -.00688 -.00009 .00000 -.00009 2.78341 R9 2.63156 -.00542 .00048 .00000 .00048 2.63204 R10 2.87728 .00322 -.00065 .00000 -.00065 2.87663 R11 2.05264 -.00020 .00005 .00000 .00005 2.05269 R12 2.04463 -.00004 .00001 .00000 .00001 2.04464 R13 2.89957 -.00923 -.00035 .00000 -.00035 2.89922 R14 2.72342 .00738 .00076 .00000 .00076 2.72417 R15 2.04804 .00002 -.00007 .00000 -.00007 2.04797 R16 2.86993 .01005 -.00036 .00000 -.00036 2.86957 R17 2.65532 -.00001 .00015 .00000 .00015 2.65547 R18 2.04747 .00012 -.00011 .00000 -.00011 2.04736 R19 2.87910 .01057 -.00014 .00000 -.00014 2.87897 R20 2.59978 -.00173 -.00071 .00000 -.00071 2.59907 R21 2.01925 -.00069 .00020 .00000 .00020 2.01945 R22 2.82977 .01153 .00154 .00000 .00154 2.83131 R23 2.59561 .00080 -.00101 .00000 -.00101 2.59460 R24 2.04271 -.00009 -.00001 .00000 -.00001 2.04270 R25 2.53454 .00318 .00050 .00000 .00050 2.53504 R26 2.51428 .01041 -.00066 .00000 -.00066 2.51362 R27 2.57701 -.00649 -.00015 .00000 -.00015 2.57687 R28 2.02308 .00002 .00006 .00000 .00006 2.02314 R29 2.62862 -.00699 .00072 .00000 .00072 2.62934 R30 2.02609 .00011 .00000 .00000 .00000 2.02609 R31 2.60600 -.00355 -.00063 .00000 -.00063 2.60537 R32 2.02690 -.00014 .00004 .00000 .00004 2.02694 R33 2.84861 .00298 -.00058 .00000 -.00058 2.84803 R34 2.60956 .01627 .00078 .00000 .00078 2.61034 R35 2.51975 -.01350 -.00073 .00000 -.00073 2.51903 R36 2.28182 .00334 .00042 .00000 .00042 2.28224 R37 1.88355 -.00002 -.00017 .00000 -.00017 1.88338 R38 1.91940 -.00091 -.00013 .00000 -.00013 1.91928 R39 2.01662 -.00063 -.00028 .00000 -.00028 2.01634 R40 1.82390 .00320 .00094 .00000 .00094 1.82484 R41 1.78866 .00000 .00002 .00000 .00002 1.78868 R42 2.64777 .00074 .00030 .00000 .00030 2.64807 R43 2.87477 -.00037 -.00020 .00000 -.00020 2.87457 R44 2.04488 .00003 -.00012 .00000 -.00012 2.04476 R45 2.04552 -.00004 .00000 .00000 .00000 2.04552 R46 2.90057 -.00068 -.00027 .00000 -.00027 2.90030 R47 2.69660 -.00019 -.00040 .00000 -.00040 2.69620 R48 2.04613 .00003 .00007 .00000 .00007 2.04620 R49 2.88797 .00004 -.00049 .00000 -.00049 2.88748 R50 2.61614 -.00023 -.00054 .00000 -.00054 2.61561 R51 2.05672 .00005 .00081 .00000 .00081 2.05754 R52 2.88915 .00008 .00051 .00000 .00051 2.88966 R53 2.63858 -.00012 .00046 .00000 .00046 2.63904 R54 2.04885 -.00002 -.00006 .00000 -.00006 2.04879 R55 2.76538 .00007 -.00062 .00000 -.00062 2.76475 R56 2.62427 .00011 .00045 .00000 .00045 2.62473 R57 2.03925 -.00005 .00007 .00000 .00007 2.03932 R58 2.57312 .00009 .00004 .00000 .00004 2.57316 R59 2.59257 -.00011 .00012 .00000 .00012 2.59269 R60 2.51478 -.00008 .00021 .00000 .00021 2.51499 R61 2.60444 -.00002 -.00027 .00000 -.00027 2.60417 R62 2.47670 .00007 .00015 .00000 .00015 2.47686 R63 2.51288 .00001 .00000 .00000 .00000 2.51288 R64 2.03234 -.00001 .00005 .00000 .00005 2.03238 R65 2.50558 -.00003 .00028 .00000 .00028 2.50586 R66 2.55765 .00010 -.00035 .00000 -.00035 2.55730 R67 2.63822 .00008 .00025 .00000 .00025 2.63846 R68 1.87979 .00001 -.00008 .00000 -.00008 1.87971 R69 1.87910 .00003 -.00008 .00000 -.00008 1.87902 R70 2.60601 .00005 .00016 .00000 .00016 2.60617 R71 2.42697 -.00003 .00003 .00000 .00003 2.42700 R72 2.01775 .00007 .00007 .00000 .00007 2.01782 R73 1.79826 .00010 -.00007 .00000 -.00007 1.79819 R74 1.83246 -.00063 .00023 .00000 .00023 1.83269 R75 3.26272 .00035 -.00170 .00000 -.00170 3.26102 R76 3.53560 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-3.12408 Item Value Threshold Converged? Maximum Force .072737 .000450 NO RMS Force .010059 .000300 NO Maximum Displacement .385252 .001800 NO RMS Displacement .076236 .001200 NO Predicted change in Energy=-5.216681D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.104425 -.357609 -1.445664 2 8 0 2.503140 -.292019 -2.209546 3 15 0 3.853533 .621351 -2.091902 4 8 0 4.457066 .018535 -.676286 5 6 0 5.591405 -.784593 -.585760 6 6 0 5.365247 -1.883561 .443003 7 6 0 4.302267 -2.934654 .097963 8 6 0 3.055893 -2.264152 .648291 9 6 0 3.604310 -1.657570 1.933710 10 7 0 2.808191 -.451589 2.329438 11 6 0 1.680437 -.664134 3.024120 12 6 0 .877447 .374074 3.393972 13 6 0 1.241924 1.664347 3.022069 14 6 0 2.371443 1.864175 2.257168 15 6 0 2.730911 3.267290 1.840715 16 7 0 3.360035 3.400880 .673122 17 8 0 2.456947 4.176147 2.587365 18 6 0 3.137212 .767659 1.911734 19 8 0 4.909314 -1.310879 1.684891 20 8 0 1.930427 -3.027276 .854712 21 8 0 4.530204 -4.127625 .804711 22 8 0 4.754135 .215773 -3.171611 23 8 0 3.486435 2.014802 -1.786906 24 8 0 .145979 .373018 -2.514506 25 6 0 -1.218545 .072087 -2.620109 26 6 0 -2.055328 1.127355 -1.912915 27 6 0 -1.988419 1.170641 -.380214 28 6 0 -3.359206 1.753719 -.040051 29 6 0 -4.254329 1.170771 -1.134219 30 7 0 -4.975939 -.030112 -.712725 31 6 0 -6.123449 -.062277 .019602 32 7 0 -6.820783 .957153 .515301 33 6 0 -7.889428 .553455 1.157912 34 7 0 -8.320840 -.688368 1.357951 35 6 0 -7.604160 -1.688427 .863337 36 7 0 -8.012102 -2.958787 1.089365 37 6 0 -6.441764 -1.397023 .146863 38 7 0 -5.514975 -2.184197 -.503839 39 6 0 -4.679078 -1.340160 -.992036 40 8 0 -3.421698 .824839 -2.190734 41 8 0 -3.339854 3.140397 -.204446 42 8 0 -1.008070 1.992825 .147725 43 8 0 1.156172 .457399 -.197495 44 8 0 .695927 -1.777437 -1.301170 45 1 0 6.430210 -.176781 -.258835 46 1 0 5.845519 -1.216859 -1.544533 47 1 0 6.312798 -2.364725 .655401 48 1 0 4.221793 -3.114416 -.967399 49 1 0 2.850609 -1.442584 -.003548 50 1 0 3.532462 -2.335824 2.772320 51 1 0 1.459276 -1.685128 3.258305 52 1 0 -.017609 .182465 3.952262 53 1 0 .648267 2.511434 3.305809 54 1 0 3.537383 4.341293 .394791 55 1 0 3.315144 2.734077 -.091654 56 1 0 4.012987 .838604 1.306358 57 1 0 1.316042 -2.786905 .149543 58 1 0 5.205758 -4.628923 .370838 59 1 0 -1.427317 -.911869 -2.221288 60 1 0 -1.473118 .074259 -3.672190 61 1 0 -1.813268 2.107559 -2.304156 62 1 0 -1.907782 .157334 .009909 63 1 0 -3.705232 1.488839 .952693 64 1 0 -4.990881 1.897432 -1.440876 65 1 0 -8.506814 1.325525 1.581496 66 1 0 -7.609605 -3.681933 .537562 67 1 0 -8.948420 -3.082673 1.400271 68 1 0 -3.824700 -1.593708 -1.580183 69 1 0 -2.472290 3.440691 .045802 70 1 0 -.143394 1.569735 .029939 --------------------------------------------------------------------- Rotational constants (GHZ): .1235577 .0379002 .0367870 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6571.2090656482 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32020044 A.U. after 16 cycles Convg = .7559D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000107823 -.000192717 -.000065717 2 8 .000170852 -.000316112 .000078274 3 15 -.000095533 .000127745 -.000132202 4 8 -.000052221 -.000256358 -.000008975 5 6 .000328443 .000252642 -.000189028 6 6 -.000354249 -.000028388 .000375633 7 6 .000042359 -.000098339 .000013331 8 6 .000310199 .000284802 -.000112941 9 6 -.001171098 .000288046 .000005354 10 7 .000345209 -.000316427 .000587530 11 6 .000183448 -.000056091 -.000212459 12 6 -.000008908 .000255851 .000015750 13 6 -.000323102 -.000144267 .000123963 14 6 .000823703 -.000573850 -.000243631 15 6 -.000502410 .000503012 .000631519 16 7 -.000079351 -.000028963 -.000206215 17 8 .000030962 -.000180380 -.000219547 18 6 -.000192385 .000382938 -.000041018 19 8 .000390960 -.000007380 -.000221907 20 8 -.000312244 -.000063176 -.000378422 21 8 -.000029250 .000035855 -.000043324 22 8 -.000093809 .000075515 .000056310 23 8 -.000030648 -.000011064 .000034510 24 8 -.000060320 .000059301 -.000286063 25 6 .000045131 .000179397 .000230956 26 6 .000316927 -.000258380 .000180386 27 6 -.000319108 -.000556830 .000215783 28 6 -.000044530 .000282720 -.000220233 29 6 .000446415 .000447687 -.000030401 30 7 .000113681 -.000295170 .000059840 31 6 -.000033407 .000293571 .000139093 32 7 -.000013221 -.000079590 -.000025747 33 6 .000016291 .000027205 -.000065669 34 7 .000106844 -.000121616 .000015856 35 6 -.000079892 .000322299 -.000225347 36 7 .000102743 -.000125524 .000237738 37 6 .000030195 -.000186877 -.000015667 38 7 .000029874 -.000046508 .000061626 39 6 -.000225065 .000098555 -.000040082 40 8 -.000384686 .000308404 -.000054789 41 8 -.000191565 -.000132379 .000352537 42 8 .000237743 .000072488 .000052380 43 8 -.000074850 .000071234 .000128119 44 8 .000287164 -.000082533 -.000029817 45 1 .000020879 -.000025071 -.000062771 46 1 .000002127 -.000001094 .000008250 47 1 .000013063 -.000029925 -.000035032 48 1 .000014737 -.000005861 -.000042018 49 1 -.000085415 -.000041499 .000008060 50 1 .000080896 -.000089461 -.000063214 51 1 -.000008453 .000021510 .000012115 52 1 .000023031 -.000037530 .000030023 53 1 .000049182 .000047614 -.000099567 54 1 .000065738 .000063989 .000027427 55 1 .000095404 -.000021168 -.000034373 56 1 .000055771 .000017953 -.000025962 57 1 .000043119 .000015674 .000366666 58 1 -.000002990 .000007018 .000002939 59 1 .000130618 -.000097964 -.000094549 60 1 -.000064152 -.000026500 .000017023 61 1 .000026075 -.000067517 -.000093040 62 1 -.000011975 .000218337 -.000062363 63 1 -.000034796 -.000052601 -.000007355 64 1 -.000099731 -.000188682 -.000139561 65 1 .000028371 -.000003400 .000010970 66 1 -.000032855 -.000013949 -.000059236 67 1 -.000050195 -.000000555 -.000060675 68 1 .000020386 -.000044732 .000092460 69 1 .000089367 -.000010450 -.000165612 70 1 -.000163320 .000155512 -.000057890 ------------------------------------------------------------------- Cartesian Forces: Max .001171098 RMS .000208354 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000788689 RMS .000156436 Search for a local minimum. Step number 5 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 5 Eigenvalues --- .00420 .00506 .00574 .00629 .00706 Eigenvalues --- .00833 .00879 .00994 .01310 .01561 Eigenvalues --- .01607 .01623 .01696 .01822 .01868 Eigenvalues --- .01940 .02040 .02166 .02205 .02258 Eigenvalues --- .02281 .02307 .02311 .02326 .02363 Eigenvalues --- .02388 .02438 .02448 .02517 .02523 Eigenvalues --- .02536 .02562 .02578 .02676 .02717 Eigenvalues --- .02754 .02886 .03042 .03129 .03219 Eigenvalues --- .03279 .03308 .03380 .03641 .03826 Eigenvalues --- .03963 .04031 .04234 .04898 .05085 Eigenvalues --- .05112 .05199 .05369 .05393 .05600 Eigenvalues --- .05672 .05844 .05906 .05942 .06019 Eigenvalues --- .06040 .06238 .06312 .06639 .07068 Eigenvalues --- .07104 .07683 .07747 .07992 .08144 Eigenvalues --- .08244 .08398 .09051 .10248 .10761 Eigenvalues --- .11450 .11526 .13080 .13194 .14007 Eigenvalues --- .14684 .15501 .15687 .15867 .15992 Eigenvalues --- .15995 .15998 .15999 .16000 .16000 Eigenvalues --- .16000 .16000 .16000 .16000 .16000 Eigenvalues --- .16000 .16010 .16218 .16340 .16443 Eigenvalues --- .16670 .16998 .17660 .17878 .18385 Eigenvalues --- .18776 .19420 .20079 .21354 .21565 Eigenvalues --- .21907 .22326 .23146 .23363 .23480 Eigenvalues --- .23598 .23870 .24454 .24816 .24927 Eigenvalues --- .24983 .24992 .24994 .24997 .24998 Eigenvalues --- .24999 .25000 .25000 .26235 .26399 Eigenvalues --- .28494 .28758 .28838 .28965 .30004 Eigenvalues --- .30054 .31613 .32380 .34900 .35251 Eigenvalues --- .35494 .35546 .35583 .35657 .35701 Eigenvalues --- .35748 .35756 .35879 .36096 .36544 Eigenvalues --- .36555 .36902 .36958 .37154 .37320 Eigenvalues --- .37500 .37515 .37605 .39349 .41144 Eigenvalues --- .42036 .43857 .44757 .44869 .44923 Eigenvalues --- .44975 .45041 .45137 .45419 .45970 Eigenvalues --- .46166 .46424 .46877 .48198 .48291 Eigenvalues --- .48388 .48632 .48698 .48815 .49833 Eigenvalues --- .49841 .51120 .51156 .51879 .52687 Eigenvalues --- .53718 .54317 .55107 .55835 .57327 Eigenvalues --- .57511 .57891 .58063 .58475 .59926 Eigenvalues --- .62791 .68228 .69439 .79574 .81980 Eigenvalues --- .86420 .90204 1.00878 2.994231000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.70267358D-04. Quartic linear search produced a step of -.01234. Maximum step size ( .075) exceeded in Quadratic search. -- Step size scaled by .520 Iteration 1 RMS(Cart)= .03763696 RMS(Int)= .00014569 Iteration 2 RMS(Cart)= .00035705 RMS(Int)= .00000496 Iteration 3 RMS(Cart)= .00000005 RMS(Int)= .00000496 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01423 -.00024 .00000 -.00050 -.00050 3.01373 R2 3.04408 .00009 .00000 .00026 .00025 3.04433 R3 2.81870 .00018 .00000 .00052 .00052 2.81922 R4 2.80525 -.00011 .00000 -.00020 -.00020 2.80505 R5 3.08879 -.00015 .00000 -.00076 -.00076 3.08803 R6 3.12326 .00004 .00000 -.00030 -.00031 3.12295 R7 2.76530 -.00012 .00000 -.00021 -.00021 2.76509 R8 2.78341 .00000 .00000 .00003 .00003 2.78344 R9 2.63204 -.00024 .00000 -.00059 -.00059 2.63145 R10 2.87663 .00026 .00000 .00103 .00103 2.87766 R11 2.05269 -.00002 .00000 -.00007 -.00007 2.05262 R12 2.04464 -.00001 .00000 -.00001 -.00001 2.04463 R13 2.89922 .00007 .00000 .00037 .00037 2.89959 R14 2.72417 -.00008 .00000 -.00040 -.00040 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.00000 -.00266 -.00266 -3.12674 Item Value Threshold Converged? Maximum Force .000789 .000450 NO RMS Force .000156 .000300 YES Maximum Displacement .214589 .001800 NO RMS Displacement .037673 .001200 NO Predicted change in Energy=-6.598545D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.134479 -.366676 -1.449523 2 8 0 2.532401 -.271727 -2.211215 3 15 0 3.863621 .667138 -2.081940 4 8 0 4.469539 .060394 -.669214 5 6 0 5.612666 -.729640 -.578826 6 6 0 5.388791 -1.838205 .440907 7 6 0 4.339950 -2.898496 .080236 8 6 0 3.082164 -2.254705 .637453 9 6 0 3.619719 -1.650999 1.928752 10 7 0 2.803531 -.464712 2.339851 11 6 0 1.680912 -.709112 3.031785 12 6 0 .851902 .306206 3.407770 13 6 0 1.183632 1.606478 3.042200 14 6 0 2.309795 1.839384 2.281027 15 6 0 2.627245 3.255929 1.874409 16 7 0 3.262954 3.415786 .713335 17 8 0 2.316002 4.151702 2.621862 18 6 0 3.103331 .765124 1.929540 19 8 0 4.919629 -1.280328 1.684361 20 8 0 1.972156 -3.042095 .839314 21 8 0 4.583630 -4.097344 .771422 22 8 0 4.775778 .288772 -3.161678 23 8 0 3.469327 2.050389 -1.764635 24 8 0 .164404 .354728 -2.514332 25 6 0 -1.197362 .040237 -2.613270 26 6 0 -2.039209 1.095418 -1.911742 27 6 0 -1.980741 1.147001 -.378790 28 6 0 -3.351987 1.735935 -.049302 29 6 0 -4.241788 1.150088 -1.145809 30 7 0 -4.969677 -.045580 -.718922 31 6 0 -6.124306 -.066108 .002503 32 7 0 -6.823732 .960813 .479056 33 6 0 -7.900046 .567470 1.115057 34 7 0 -8.336976 -.670817 1.324820 35 6 0 -7.618807 -1.678259 .848151 36 7 0 -8.031825 -2.945015 1.086250 37 6 0 -6.448033 -1.398613 .140998 38 7 0 -5.516629 -2.195862 -.490342 39 6 0 -4.674265 -1.359505 -.980597 40 8 0 -3.405082 .795231 -2.195742 41 8 0 -3.329358 3.121854 -.217107 42 8 0 -1.001165 1.971282 .148217 43 8 0 1.169400 .441673 -.196119 44 8 0 .752521 -1.794677 -1.314338 45 1 0 6.443457 -.115742 -.243050 46 1 0 5.876538 -1.152872 -1.538986 47 1 0 6.339903 -2.311456 .655408 48 1 0 4.263768 -3.065846 -.987534 49 1 0 2.860030 -1.431129 -.006019 50 1 0 3.561114 -2.340225 2.759413 51 1 0 1.484114 -1.736788 3.258185 52 1 0 -.038510 .088532 3.963930 53 1 0 .568337 2.437310 3.327792 54 1 0 3.414175 4.362882 .441939 55 1 0 3.250395 2.751322 -.054790 56 1 0 3.976494 .861268 1.323567 57 1 0 1.350756 -2.810315 .138269 58 1 0 5.266770 -4.583245 .331970 59 1 0 -1.395729 -.943835 -2.209253 60 1 0 -1.455349 .034529 -3.664505 61 1 0 -1.794968 2.073561 -2.306642 62 1 0 -1.903913 .136409 .017643 63 1 0 -3.704196 1.474761 .942291 64 1 0 -4.975762 1.874866 -1.462773 65 1 0 -8.518720 1.346021 1.524588 66 1 0 -7.626613 -3.675235 .545776 67 1 0 -8.972267 -3.062312 1.387262 68 1 0 -3.813466 -1.622664 -1.554919 69 1 0 -2.459968 3.420273 .029199 70 1 0 -.136242 1.548110 .033772 --------------------------------------------------------------------- Rotational constants (GHZ): .1240422 .0378644 .0368122 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6573.1361281956 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32018753 A.U. after 11 cycles Convg = .9467D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000071450 .000057318 -.000452941 2 8 -.000683230 -.000252086 -.000256430 3 15 .000325975 .000250563 .000668759 4 8 .000076318 .000298479 .000209068 5 6 -.000609549 -.000023522 .000354671 6 6 .000297636 .000035202 .000077741 7 6 .000009402 -.000039127 .000020013 8 6 .000286434 .000238629 -.000005853 9 6 .000203287 -.000322824 .000248552 10 7 .000149524 -.000236656 -.000248166 11 6 -.000028645 -.000087052 .000092279 12 6 -.000127533 -.000085915 -.000071107 13 6 .000034672 .000178867 .000162379 14 6 .000276405 .000066717 .000257234 15 6 -.000025524 -.000154969 -.000216468 16 7 .000029551 -.000132867 -.000288115 17 8 .000117421 -.000038310 -.000050111 18 6 -.000248245 .000126275 -.000231293 19 8 -.000063645 .000376647 -.000317452 20 8 -.000059120 -.000097561 .000361335 21 8 .000016612 -.000166380 .000087791 22 8 -.000037435 .000036961 -.000046094 23 8 -.000061590 -.000016265 .000111287 24 8 .000233522 -.000253770 -.000237709 25 6 -.000158069 .000337183 .000090033 26 6 -.000015608 .000152818 -.000080671 27 6 .000047660 .000274289 -.000343492 28 6 -.000090922 .000264306 -.000030051 29 6 -.000077900 -.000030192 -.000167530 30 7 -.000017958 -.000300163 -.000089275 31 6 -.000078720 -.000020316 -.000193751 32 7 .000041803 -.000055217 -.000037306 33 6 -.000000824 .000031856 .000141215 34 7 -.000062967 -.000002509 -.000107200 35 6 .000138087 .000091039 .000202970 36 7 .000002957 -.000116754 .000091162 37 6 -.000037439 .000004471 .000127346 38 7 -.000111643 .000040727 -.000178500 39 6 .000196809 .000186904 .000267697 40 8 .000034382 -.000284053 .000152463 41 8 .000155137 -.000206238 .000147402 42 8 .000065459 -.000307585 .000296287 43 8 -.000290343 -.000133353 .000154337 44 8 -.000514572 .000183597 -.000357167 45 1 -.000027480 .000009196 .000036115 46 1 .000018357 -.000067118 -.000012001 47 1 -.000031201 -.000189557 .000059558 48 1 -.000053880 .000097339 .000036515 49 1 .000184416 -.000211835 .000178476 50 1 -.000080186 -.000093635 -.000026904 51 1 .000027112 .000016964 .000068504 52 1 .000012973 -.000017758 .000042327 53 1 .000034676 .000004273 -.000084095 54 1 -.000026640 -.000088840 -.000027582 55 1 -.000050131 .000184274 .000146449 56 1 .000228640 -.000168758 -.000130351 57 1 .000635901 .000535036 -.000305435 58 1 -.000000011 .000018952 -.000009328 59 1 -.000023752 -.000042821 .000091206 60 1 -.000131768 -.000090902 .000018937 61 1 .000181955 .000011467 .000061796 62 1 -.000033768 -.000088220 .000130926 63 1 -.000066714 -.000017534 -.000030818 64 1 .000040840 .000052227 .000137553 65 1 -.000037364 -.000000536 -.000041479 66 1 -.000052233 -.000003994 -.000054873 67 1 -.000038984 -.000017677 -.000049653 68 1 .000030299 .000008697 -.000134968 69 1 .000053120 .000090548 -.000062939 70 1 -.000060301 .000201048 -.000353275 ------------------------------------------------------------------- Cartesian Forces: Max .000683230 RMS .000185745 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .002951734 RMS .000400913 Search for a local minimum. Step number 6 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 Trust test=-1.96D-01 RLast= 7.50D-02 DXMaxT set to 5.00D-02 Eigenvalues --- .00427 .00505 .00573 .00674 .00802 Eigenvalues --- .00829 .00989 .01077 .01219 .01524 Eigenvalues --- .01561 .01623 .01695 .01823 .01845 Eigenvalues --- .01957 .02030 .02167 .02214 .02255 Eigenvalues --- .02284 .02304 .02311 .02326 .02363 Eigenvalues --- .02389 .02410 .02445 .02517 .02523 Eigenvalues --- .02535 .02561 .02578 .02683 .02717 Eigenvalues --- .02755 .02880 .03110 .03193 .03262 Eigenvalues --- .03305 .03343 .03399 .03751 .03844 Eigenvalues --- .03994 .04047 .04251 .04912 .05092 Eigenvalues --- .05120 .05193 .05385 .05421 .05668 Eigenvalues --- .05683 .05885 .05925 .06010 .06037 Eigenvalues --- .06151 .06236 .06306 .06754 .07060 Eigenvalues --- .07637 .07691 .07992 .08099 .08237 Eigenvalues --- .08380 .08721 .09304 .10313 .10889 Eigenvalues --- .11446 .11535 .13103 .13193 .13967 Eigenvalues --- .14687 .15587 .15743 .15904 .15995 Eigenvalues --- .15998 .15999 .16000 .16000 .16000 Eigenvalues --- .16000 .16000 .16000 .16000 .16000 Eigenvalues --- .16004 .16205 .16278 .16404 .16594 Eigenvalues --- .16866 .17263 .17625 .17972 .18692 Eigenvalues --- .19244 .19772 .20830 .21558 .21845 Eigenvalues --- .22211 .22697 .23149 .23469 .23487 Eigenvalues --- .23595 .24169 .24677 .24813 .24959 Eigenvalues --- .24984 .24991 .24995 .24996 .24998 Eigenvalues --- .24999 .25000 .25950 .26398 .28377 Eigenvalues --- .28494 .28758 .28975 .29800 .30028 Eigenvalues --- .31602 .32178 .34618 .35250 .35310 Eigenvalues --- .35495 .35557 .35623 .35668 .35702 Eigenvalues --- .35754 .35804 .35888 .36098 .36542 Eigenvalues --- .36553 .36902 .36959 .37154 .37329 Eigenvalues --- .37508 .37597 .38863 .39374 .41147 Eigenvalues --- .42096 .43883 .44765 .44896 .44948 Eigenvalues --- .45041 .45136 .45208 .45737 .45979 Eigenvalues --- .46149 .46643 .47892 .48279 .48325 Eigenvalues --- .48400 .48632 .48698 .48812 .49832 Eigenvalues --- .50761 .51140 .51345 .52660 .52869 Eigenvalues --- .54256 .55085 .55613 .55834 .57328 Eigenvalues --- .57718 .57901 .58474 .59053 .59929 Eigenvalues --- .62813 .68246 .74250 .79988 .82412 Eigenvalues --- .86419 .90208 1.00857 3.045511000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-9.86016638D-05. Quartic linear search produced a step of -.56226. Maximum step size ( .050) exceeded in Quadratic search. -- Step size scaled by .502 Iteration 1 RMS(Cart)= .01477760 RMS(Int)= .00002958 Iteration 2 RMS(Cart)= .00010964 RMS(Int)= .00000150 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000150 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01373 .00030 .00028 -.00017 .00011 3.01384 R2 3.04433 .00008 -.00014 .00020 .00006 3.04439 R3 2.81922 .00002 -.00029 .00041 .00011 2.81933 R4 2.80505 .00022 .00011 -.00013 -.00002 2.80503 R5 3.08803 .00139 .00043 .00010 .00053 3.08855 R6 3.12295 .00024 .00017 .00009 .00027 3.12322 R7 2.76509 .00000 .00012 -.00016 -.00004 2.76505 R8 2.78344 .00002 -.00002 -.00001 -.00003 2.78341 R9 2.63145 .00077 .00033 .00008 .00041 2.63186 R10 2.87766 -.00070 -.00058 .00044 -.00014 2.87752 R11 2.05262 .00000 .00004 -.00005 -.00002 2.05261 R12 2.04463 .00004 .00001 .00002 .00003 2.04466 R13 2.89959 -.00045 -.00021 -.00032 -.00052 2.89907 R14 2.72378 -.00102 .00022 -.00053 -.00030 2.72347 R15 2.04806 .00007 -.00005 .00011 .00006 2.04812 R16 2.87026 -.00017 -.00038 -.00017 -.00055 2.86971 R17 2.65529 .00017 .00010 -.00004 .00007 2.65536 R18 2.04749 -.00005 -.00008 .00005 -.00002 2.04747 R19 2.87889 -.00023 .00004 -.00024 -.00020 2.87869 R20 2.59990 -.00080 -.00047 .00022 -.00025 2.59965 R21 2.01916 -.00031 .00017 -.00047 -.00030 2.01886 R22 2.82982 -.00072 .00084 -.00138 -.00054 2.82928 R23 2.59581 -.00093 -.00068 .00070 .00002 2.59583 R24 2.04271 .00004 .00000 .00003 .00002 2.04273 R25 2.53447 .00001 .00032 -.00039 -.00008 2.53440 R26 2.51464 -.00026 -.00057 .00071 .00013 2.51477 R27 2.57689 .00027 -.00001 .00011 .00010 2.57699 R28 2.02307 -.00001 .00004 -.00005 -.00001 2.02306 R29 2.62828 .00048 .00060 -.00060 .00000 2.62827 R30 2.02609 .00001 .00000 .00001 .00001 2.02610 R31 2.60609 .00013 -.00041 .00059 .00018 2.60628 R32 2.02689 -.00004 .00003 -.00006 -.00003 2.02686 R33 2.84886 -.00009 -.00047 .00060 .00013 2.84899 R34 2.60979 -.00054 .00031 -.00047 -.00016 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.00198 -.59223 D148 -2.53500 .00008 -.00512 .00700 .00188 -2.53312 D149 1.60561 .00001 -.00534 .00719 .00185 1.60745 D150 1.41921 .00003 -.00297 .00425 .00128 1.42049 D151 -1.75858 .00003 -.00294 .00422 .00128 -1.75730 D152 -2.80205 -.00002 -.00348 .00461 .00113 -2.80093 D153 .30333 -.00001 -.00345 .00458 .00113 .30446 D154 -.71048 .00003 -.00228 .00335 .00108 -.70941 D155 2.39491 .00003 -.00225 .00333 .00108 2.39598 D156 -.00679 .00003 .00038 .00012 .00050 -.00629 D157 -2.13808 -.00005 -.00042 .00121 .00079 -2.13729 D158 2.09614 -.00006 -.00178 .00273 .00095 2.09709 D159 -.01224 -.00002 -.00055 .00052 -.00003 -.01227 D160 3.12087 .00001 .00022 -.00010 .00012 3.12099 D161 -3.12433 -.00002 -.00055 .00051 -.00003 -3.12437 D162 .00878 .00001 .00022 -.00010 .00012 .00889 D163 -3.11983 .00004 .00051 -.00020 .00031 -3.11953 D164 .01173 -.00007 -.00191 .00167 -.00024 .01149 D165 -.00863 .00004 .00055 -.00024 .00031 -.00832 D166 3.12293 -.00006 -.00187 .00163 -.00024 3.12269 D167 3.12608 .00003 .00049 -.00029 .00019 3.12627 D168 -.00542 -.00001 -.00043 .00044 .00001 -.00541 D169 -3.13353 -.00002 -.00055 .00041 -.00014 -3.13368 D170 -.00675 -.00006 -.00086 .00039 -.00048 -.00722 D171 -.00013 .00001 .00019 -.00019 .00000 -.00012 D172 3.12666 -.00003 -.00012 -.00021 -.00033 3.12633 D173 .00393 -.00002 .00001 -.00015 -.00014 .00380 D174 -3.13664 .00006 .00093 -.00057 .00036 -3.13629 D175 .00344 .00004 .00063 -.00040 .00023 .00367 D176 -3.13916 -.00004 -.00027 .00001 -.00026 -3.13941 D177 3.10983 .00005 .00092 -.00066 .00026 3.11009 D178 -.00938 -.00004 -.00085 .00066 -.00019 -.00956 D179 2.88128 -.00010 .00032 -.00125 -.00094 2.88034 D180 .28455 .00000 -.00249 .00294 .00045 .28500 D181 -.28345 -.00001 .00215 -.00262 -.00047 -.28393 D182 -2.88018 .00009 -.00067 .00157 .00091 -2.87927 D183 .00784 .00002 .00048 -.00040 .00008 .00792 D184 -3.11481 .00007 .00088 -.00037 .00051 -3.11430 D185 -3.11059 -.00007 -.00135 .00097 -.00038 -3.11097 D186 .04994 -.00002 -.00095 .00100 .00005 .04999 D187 .00163 .00009 .00117 -.00052 .00065 .00228 D188 3.12505 .00004 .00079 -.00055 .00024 3.12529 D189 .00434 -.00008 -.00105 .00046 -.00059 .00375 D190 -3.12674 .00003 .00149 -.00150 -.00001 -3.12675 Item Value Threshold Converged? Maximum Force .002952 .000450 NO RMS Force .000401 .000300 NO Maximum Displacement .061963 .001800 NO RMS Displacement .014696 .001200 NO Predicted change in Energy=-5.657141D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.120315 -.364627 -1.453978 2 8 0 2.518750 -.262577 -2.213935 3 15 0 3.847201 .680009 -2.079829 4 8 0 4.463100 .066909 -.674016 5 6 0 5.612414 -.715783 -.595675 6 6 0 5.403319 -1.833192 .417411 7 6 0 4.355605 -2.894292 .057013 8 6 0 3.100560 -2.253713 .623244 9 6 0 3.643422 -1.660318 1.916976 10 7 0 2.829981 -.476897 2.340550 11 6 0 1.715106 -.724793 3.043595 12 6 0 .888885 .288462 3.431288 13 6 0 1.215379 1.590177 3.066146 14 6 0 2.333269 1.826736 2.293810 15 6 0 2.643974 3.245172 1.888320 16 7 0 3.266946 3.409984 .721064 17 8 0 2.339455 4.137921 2.642077 18 6 0 3.123963 .754464 1.930379 19 8 0 4.941583 -1.286318 1.668326 20 8 0 1.989851 -3.040788 .821558 21 8 0 4.604434 -4.096006 .741428 22 8 0 4.757479 .314183 -3.165429 23 8 0 3.447552 2.059194 -1.751777 24 8 0 .149559 .357866 -2.517478 25 6 0 -1.212063 .042541 -2.615613 26 6 0 -2.053518 1.097837 -1.913962 27 6 0 -1.991868 1.151727 -.381303 28 6 0 -3.363196 1.739208 -.049416 29 6 0 -4.254522 1.150891 -1.143386 30 7 0 -4.979322 -.045721 -.713565 31 6 0 -6.132941 -.067483 .009461 32 7 0 -6.833867 .958713 .485313 33 6 0 -7.908383 .564163 1.123607 34 7 0 -8.342389 -.674705 1.336014 35 6 0 -7.622724 -1.681401 .860080 36 7 0 -8.032938 -2.948681 1.100607 37 6 0 -6.453606 -1.400466 .150709 38 7 0 -5.521630 -2.196723 -.481038 39 6 0 -4.681504 -1.359389 -.973485 40 8 0 -3.419729 .796055 -2.194783 41 8 0 -3.342644 3.124963 -.218229 42 8 0 -1.012128 1.978277 .141906 43 8 0 1.150774 .439434 -.197631 44 8 0 .741414 -1.793915 -1.324007 45 1 0 6.440977 -.098390 -.260829 46 1 0 5.873353 -1.130469 -1.560373 47 1 0 6.358016 -2.304226 .620737 48 1 0 4.274118 -3.056147 -1.011199 49 1 0 2.877666 -1.425171 -.013286 50 1 0 3.589318 -2.356051 2.742519 51 1 0 1.522136 -1.753317 3.269402 52 1 0 .004825 .068083 3.996452 53 1 0 .602274 2.419578 3.360422 54 1 0 3.413966 4.358224 .451379 55 1 0 3.247649 2.748159 -.049140 56 1 0 3.990635 .853089 1.315369 57 1 0 1.369748 -2.802777 .121470 58 1 0 5.286018 -4.578865 .296251 59 1 0 -1.409352 -.941451 -2.210770 60 1 0 -1.471269 .035926 -3.666549 61 1 0 -1.810465 2.075555 -2.310659 62 1 0 -1.912561 .141866 .016441 63 1 0 -3.712924 1.478312 .943131 64 1 0 -4.990528 1.873959 -1.459479 65 1 0 -8.528294 1.342092 1.532444 66 1 0 -7.627335 -3.678692 .560124 67 1 0 -8.972961 -3.067230 1.402480 68 1 0 -3.821027 -1.621672 -1.548740 69 1 0 -2.472609 3.424612 .024351 70 1 0 -.146598 1.557605 .023267 --------------------------------------------------------------------- Rotational constants (GHZ): .1238788 .0377517 .0367312 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6568.4855094836 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32023835 A.U. after 11 cycles Convg = .6589D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000438982 .000187069 .000477590 2 8 .000085282 -.000224277 .000044056 3 15 .000068013 .000234940 -.000148989 4 8 .000007237 .000244043 -.000058269 5 6 -.000171418 -.000250463 .000117238 6 6 .000299792 -.000002145 .000072404 7 6 -.000003248 .000104245 -.000052804 8 6 -.000128833 -.000144492 .000148890 9 6 .000221752 -.000085736 .000053628 10 7 -.000290538 -.000467273 -.000254452 11 6 .000014228 -.000053814 .000065632 12 6 -.000136397 .000005137 -.000037938 13 6 -.000076725 .000028099 .000120712 14 6 .000080833 .000009414 -.000021299 15 6 .000305102 .000039879 -.000564039 16 7 -.000117708 -.000040424 .000390240 17 8 -.000007819 -.000026642 .000150680 18 6 -.000089676 .000377439 -.000084012 19 8 .000091472 .000197144 -.000174724 20 8 .000159260 .000051154 .000242342 21 8 -.000013100 .000012806 .000009635 22 8 .000019760 -.000020433 -.000006008 23 8 .000048085 -.000085292 .000007254 24 8 .000314137 -.000226548 -.000442127 25 6 -.000182259 .000265816 .000206184 26 6 -.000077627 .000129800 -.000055829 27 6 .000236776 .000275187 -.000270540 28 6 -.000001798 .000227864 .000002474 29 6 -.000054250 -.000113569 -.000136455 30 7 -.000085378 -.000207783 -.000051072 31 6 -.000016218 -.000052165 -.000158828 32 7 .000021660 -.000036879 -.000012735 33 6 -.000008938 .000029660 .000082486 34 7 -.000060769 .000004922 -.000064432 35 6 .000126205 .000091710 .000117547 36 7 .000002418 -.000126723 .000107812 37 6 -.000067128 .000013779 .000085920 38 7 -.000072862 .000013900 -.000088055 39 6 .000169963 .000169808 .000174115 40 8 .000079396 -.000203104 .000067875 41 8 .000078972 -.000119434 .000077120 42 8 -.000080702 -.000116047 .000102229 43 8 .000221130 -.000201313 .000157250 44 8 .000143480 -.000029923 -.000215739 45 1 -.000070678 .000037495 .000030763 46 1 -.000004190 .000005509 -.000000268 47 1 .000008010 -.000024155 .000014484 48 1 -.000016897 .000008567 .000027414 49 1 -.000066483 .000103967 -.000078016 50 1 -.000071668 -.000032519 -.000044694 51 1 .000004630 .000014477 .000059879 52 1 .000004754 -.000011661 .000014651 53 1 .000029996 .000018898 -.000026036 54 1 -.000044252 -.000069233 -.000008823 55 1 -.000041077 .000127514 -.000024924 56 1 .000063687 -.000075753 .000006205 57 1 -.000173163 .000128020 -.000219002 58 1 .000000315 -.000001115 -.000008239 59 1 -.000065770 -.000007675 .000078053 60 1 -.000063049 -.000088503 -.000007202 61 1 .000108878 .000034547 .000038625 62 1 -.000021785 -.000067270 .000143416 63 1 -.000063237 -.000007816 -.000032215 64 1 .000034118 .000061271 .000134094 65 1 -.000027013 .000000525 -.000021349 66 1 -.000044522 -.000000339 -.000052000 67 1 -.000032093 -.000012897 -.000047803 68 1 .000014070 .000008853 -.000109695 69 1 .000057365 .000020162 -.000039234 70 1 -.000132524 -.000050205 -.000011049 ------------------------------------------------------------------- Cartesian Forces: Max .000564039 RMS .000138789 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000561637 RMS .000099775 Search for a local minimum. Step number 7 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 Trust test= 6.70D-01 RLast= 7.67D-02 DXMaxT set to 5.00D-02 Eigenvalues --- .00412 .00523 .00580 .00699 .00790 Eigenvalues --- .00824 .00999 .01078 .01305 .01477 Eigenvalues --- .01561 .01623 .01695 .01826 .01861 Eigenvalues --- .01974 .02015 .02167 .02228 .02255 Eigenvalues --- .02289 .02297 .02310 .02326 .02371 Eigenvalues --- .02390 .02396 .02444 .02517 .02525 Eigenvalues --- .02533 .02560 .02579 .02705 .02718 Eigenvalues --- .02757 .03006 .03077 .03192 .03266 Eigenvalues --- .03307 .03404 .03736 .03843 .03881 Eigenvalues --- .04027 .04245 .04438 .04943 .05101 Eigenvalues --- .05121 .05248 .05419 .05507 .05683 Eigenvalues --- .05714 .05912 .05919 .06027 .06131 Eigenvalues --- .06202 .06303 .06381 .06775 .07058 Eigenvalues --- .07655 .07691 .07974 .08192 .08311 Eigenvalues --- .08456 .08844 .09501 .10408 .10906 Eigenvalues --- .11478 .11556 .13189 .13316 .14136 Eigenvalues --- .14694 .15587 .15761 .15936 .15998 Eigenvalues --- .15998 .15999 .16000 .16000 .16000 Eigenvalues --- .16000 .16000 .16000 .16000 .16002 Eigenvalues --- .16092 .16193 .16366 .16595 .16787 Eigenvalues --- .16837 .17276 .17662 .18090 .18725 Eigenvalues --- .19587 .19769 .20839 .21709 .21877 Eigenvalues --- .22147 .22686 .23150 .23482 .23504 Eigenvalues --- .23618 .24254 .24715 .24824 .24961 Eigenvalues --- .24986 .24991 .24995 .24996 .24998 Eigenvalues --- .24999 .25664 .25946 .26601 .28453 Eigenvalues --- .28519 .28772 .28988 .30008 .30146 Eigenvalues --- .31593 .32180 .34980 .35250 .35495 Eigenvalues --- .35528 .35576 .35661 .35701 .35725 Eigenvalues --- .35751 .35860 .36018 .36097 .36519 Eigenvalues --- .36545 .36902 .36958 .37154 .37354 Eigenvalues --- .37523 .37597 .39365 .40154 .41136 Eigenvalues --- .42261 .43915 .44766 .44890 .44946 Eigenvalues --- .45045 .45155 .45231 .45693 .45992 Eigenvalues --- .46118 .46616 .48274 .48320 .48337 Eigenvalues --- .48631 .48661 .48698 .48936 .49844 Eigenvalues --- .50930 .51143 .51363 .52664 .53050 Eigenvalues --- .54274 .55224 .55684 .55834 .57324 Eigenvalues --- .57605 .57898 .58475 .58837 .59938 Eigenvalues --- .62816 .68246 .78439 .81017 .85311 Eigenvalues --- .87015 .90221 1.01009 4.647161000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-3.62851873D-05. Quartic linear search produced a step of -.11811. Maximum step size ( .050) exceeded in Quadratic search. -- Step size scaled by .934 Iteration 1 RMS(Cart)= .01705949 RMS(Int)= .00003081 Iteration 2 RMS(Cart)= .00024973 RMS(Int)= .00000167 Iteration 3 RMS(Cart)= .00000001 RMS(Int)= .00000167 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01384 .00009 .00005 .00005 .00009 3.01394 R2 3.04439 -.00001 -.00004 .00020 .00016 3.04455 R3 2.81933 .00005 -.00008 .00037 .00030 2.81963 R4 2.80503 -.00012 .00003 -.00020 -.00017 2.80486 R5 3.08855 .00011 .00003 .00040 .00043 3.08898 R6 3.12322 -.00011 .00000 -.00008 -.00007 3.12315 R7 2.76505 .00002 .00003 -.00012 -.00009 2.76496 R8 2.78341 -.00009 .00000 -.00010 -.00010 2.78331 R9 2.63186 -.00008 .00002 .00002 .00004 2.63190 R10 2.87752 -.00014 -.00010 -.00009 -.00020 2.87732 R11 2.05261 -.00002 .00001 -.00010 -.00008 2.05252 R12 2.04466 .00000 .00000 .00002 .00002 2.04468 R13 2.89907 .00009 .00002 -.00005 -.00003 2.89904 R14 2.72347 -.00004 .00008 -.00051 -.00043 2.72304 R15 2.04812 .00002 -.00002 .00014 .00013 2.04824 R16 2.86971 .00005 -.00002 -.00017 -.00018 2.86952 R17 2.65536 -.00001 .00001 -.00003 -.00001 2.65534 R18 2.04747 -.00003 -.00001 -.00002 -.00004 2.04743 R19 2.87869 -.00027 .00003 -.00092 -.00089 2.87781 R20 2.59965 -.00006 -.00007 -.00001 -.00007 2.59958 R21 2.01886 .00014 .00007 -.00017 -.00010 2.01875 R22 2.82928 .00000 .00024 -.00115 -.00091 2.82837 R23 2.59583 .00021 -.00014 .00080 .00065 2.59648 R24 2.04273 -.00001 .00000 .00001 .00000 2.04274 R25 2.53440 .00011 .00008 -.00018 -.00010 2.53430 R26 2.51477 .00031 -.00014 .00097 .00083 2.51560 R27 2.57699 .00011 -.00001 .00026 .00024 2.57723 R28 2.02306 .00000 .00001 -.00005 -.00004 2.02302 R29 2.62827 .00009 .00013 -.00033 -.00020 2.62807 R30 2.02610 .00001 .00000 .00002 .00002 2.02612 R31 2.60628 .00013 -.00011 .00069 .00058 2.60686 R32 2.02686 -.00001 .00001 -.00007 -.00006 2.02680 R33 2.84899 .00006 -.00011 .00065 .00054 2.84953 R34 2.60963 -.00005 .00008 -.00043 -.00035 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2.04889 R55 2.76570 .00011 -.00011 .00074 .00063 2.76632 R56 2.62408 -.00004 .00008 -.00034 -.00027 2.62382 R57 2.03920 -.00002 .00001 -.00012 -.00010 2.03909 R58 2.57314 .00005 .00000 .00006 .00006 2.57320 R59 2.59243 -.00015 .00003 -.00041 -.00038 2.59205 R60 2.51469 .00001 .00004 -.00014 -.00011 2.51458 R61 2.60455 .00000 -.00004 .00020 .00015 2.60470 R62 2.47667 .00006 .00002 -.00001 .00002 2.47669 R63 2.51289 .00002 .00000 .00003 .00003 2.51292 R64 2.03232 .00001 .00001 -.00001 -.00001 2.03232 R65 2.50549 .00003 .00004 -.00015 -.00010 2.50538 R66 2.55786 .00015 -.00007 .00053 .00046 2.55832 R67 2.63816 .00004 .00004 -.00007 -.00003 2.63813 R68 1.87983 .00001 -.00001 .00008 .00006 1.87989 R69 1.87914 .00002 -.00001 .00009 .00008 1.87921 R70 2.60598 .00004 .00002 -.00002 .00000 2.60598 R71 2.42699 .00007 .00000 .00008 .00008 2.42707 R72 2.01779 .00007 .00000 .00015 .00016 2.01795 R73 1.79832 .00005 -.00002 .00014 .00012 1.79844 R74 1.83234 -.00004 .00004 -.00031 -.00026 1.83207 R75 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2.03910 A119 2.05206 -.00002 .00014 -.00105 -.00091 2.05114 A120 2.02811 .00005 .00004 -.00004 .00000 2.02811 A121 1.93291 -.00008 -.00003 -.00014 -.00017 1.93274 A122 2.32204 .00003 -.00001 .00017 .00015 2.32219 A123 1.81449 .00004 .00004 .00002 .00006 1.81455 A124 1.99288 -.00002 -.00005 .00010 .00005 1.99293 A125 2.10859 -.00002 -.00003 .00004 .00000 2.10859 A126 2.18167 .00003 .00007 -.00015 -.00007 2.18159 A127 1.95251 .00002 .00008 -.00010 -.00002 1.95249 A128 1.87043 .00002 -.00002 .00029 .00027 1.87071 A129 1.90332 -.00021 -.00005 -.00066 -.00072 1.90260 D1 1.79505 -.00026 .00009 -.00754 -.00745 1.78760 D2 -.21431 -.00053 -.00010 -.00795 -.00804 -.22235 D3 -2.47634 -.00044 -.00006 -.00779 -.00785 -2.48419 D4 2.65183 .00014 -.00185 .01292 .01107 2.66290 D5 -1.60423 .00006 -.00191 .01291 .01101 -1.59322 D6 .64693 .00039 -.00183 .01361 .01179 .65872 D7 1.25604 -.00056 -.00079 -.00331 -.00410 1.25194 D8 -3.07068 -.00031 -.00081 -.00219 -.00300 -3.07368 D9 -.65787 -.00022 -.00079 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.00038 -.00063 -.00025 -1.42731 D30 2.66165 -.00005 .00039 -.00120 -.00081 2.66084 D31 2.57355 -.00003 .00034 .00066 .00100 2.57455 D32 .56243 .00000 .00034 .00055 .00088 .56331 D33 -1.63204 .00001 .00034 -.00002 .00032 -1.63172 D34 1.95346 .00013 -.00056 .00006 -.00050 1.95297 D35 -.23890 .00006 -.00053 .00204 .00150 -.23740 D36 -2.27337 .00008 -.00057 .00142 .00085 -2.27252 D37 -.68642 .00005 -.00012 -.00105 -.00117 -.68759 D38 -2.84442 .00015 -.00031 -.00043 -.00074 -2.84516 D39 1.24152 .00006 -.00026 -.00066 -.00092 1.24060 D40 1.34904 -.00001 -.00014 -.00078 -.00091 1.34812 D41 -.80896 .00009 -.00033 -.00016 -.00049 -.80944 D42 -3.00621 .00000 -.00028 -.00039 -.00066 -3.00687 D43 -2.77792 -.00003 -.00010 -.00070 -.00080 -2.77872 D44 1.34727 .00007 -.00029 -.00008 -.00038 1.34690 D45 -.84998 -.00002 -.00024 -.00031 -.00055 -.85053 D46 -1.40231 .00001 .00002 -.00046 -.00044 -1.40275 D47 2.96245 -.00003 .00007 -.00042 -.00035 2.96210 D48 .80450 .00001 .00002 -.00006 -.00005 .80445 D49 2.67836 .00002 -.00028 .00192 .00164 2.68000 D50 .57827 -.00003 -.00018 .00231 .00213 .58040 D51 -1.55293 -.00006 -.00052 .00261 .00208 -1.55085 D52 -1.37832 .00007 -.00003 .00162 .00159 -1.37673 D53 2.80478 .00002 .00007 .00201 .00208 2.80686 D54 .67358 -.00001 -.00027 .00231 .00203 .67561 D55 .75110 .00003 -.00006 .00129 .00123 .75233 D56 -1.34899 -.00002 .00004 .00168 .00171 -1.34728 D57 2.80300 -.00005 -.00031 .00197 .00167 2.80466 D58 -1.85119 -.00006 -.00041 .00309 .00268 -1.84851 D59 2.38225 -.00001 -.00056 .00364 .00308 2.38533 D60 .30290 .00003 -.00051 .00372 .00321 .30611 D61 1.46986 -.00003 -.00076 .00391 .00315 1.47301 D62 -1.56019 -.00011 -.00196 .00397 .00201 -1.55818 D63 -2.75162 .00002 -.00084 .00351 .00267 -2.74896 D64 .50151 -.00006 -.00204 .00357 .00153 .50304 D65 -.65482 .00009 -.00066 .00405 .00339 -.65142 D66 2.59832 .00001 -.00185 .00411 .00226 2.60057 D67 -.21452 -.00003 .00046 -.00275 -.00230 -.21682 D68 -2.31810 .00013 .00077 -.00287 -.00210 -2.32020 D69 1.92967 -.00001 .00074 -.00363 -.00289 1.92679 D70 -3.10165 -.00008 -.00111 .00056 -.00055 -3.10220 D71 .03494 -.00005 -.00102 .00124 .00022 .03515 D72 -.07096 .00001 .00007 .00048 .00055 -.07041 D73 3.06562 .00003 .00016 .00116 .00132 3.06694 D74 3.10112 .00016 .00120 .00174 .00295 3.10407 D75 -.03903 .00005 .00096 -.00139 -.00043 -.03945 D76 .07560 .00006 -.00006 .00184 .00179 .07738 D77 -3.06455 -.00005 -.00031 -.00129 -.00159 -3.06614 D78 .01558 -.00006 -.00025 -.00151 -.00176 .01383 D79 -3.13700 .00001 -.00005 .00062 .00057 -3.13643 D80 -3.12064 -.00009 -.00034 -.00224 -.00258 -3.12322 D81 .00996 -.00002 -.00015 -.00011 -.00026 .00970 D82 .03363 .00005 .00042 .00023 .00065 .03428 D83 -3.12665 .00006 .00037 .00095 .00132 -3.12534 D84 -3.09677 -.00002 .00022 -.00193 -.00172 -3.09848 D85 .02614 -.00001 .00016 -.00121 -.00105 .02509 D86 3.11802 .00007 .00008 .00274 .00282 3.12083 D87 -.02902 .00001 -.00041 .00199 .00158 -.02744 D88 -.00530 .00006 .00013 .00202 .00215 -.00315 D89 3.13085 .00000 -.00036 .00127 .00091 3.13176 D90 -2.60767 .00003 .00092 .00173 .00265 -2.60502 D91 .55769 .00004 .00098 .00250 .00348 .56117 D92 .53961 .00009 .00143 .00252 .00395 .54357 D93 -2.57821 .00011 .00149 .00329 .00478 -2.57342 D94 -.02506 -.00007 .00023 -.00305 -.00281 -.02788 D95 3.11498 .00006 .00050 .00030 .00080 3.11578 D96 3.11084 -.00013 -.00027 -.00385 -.00412 3.10672 D97 -.03230 -.00001 -.00001 -.00050 -.00051 -.03281 D98 3.08285 -.00002 -.00035 .00152 .00118 3.08403 D99 .41250 .00008 .00041 .00043 .00084 .41335 D100 -.08425 -.00003 -.00041 .00069 .00028 -.08398 D101 -2.75460 .00006 .00035 -.00041 -.00006 -2.75466 D102 1.76671 -.00010 -.00120 .00535 .00414 1.77086 D103 -.38625 .00001 -.00075 .00418 .00343 -.38282 D104 -2.44974 -.00002 -.00081 .00446 .00364 -2.44611 D105 -1.22900 -.00006 .00103 -.00967 -.00863 -1.23763 D106 3.02187 -.00001 .00156 -.01015 -.00859 3.01327 D107 .95257 -.00005 .00122 -.00986 -.00864 .94393 D108 .92285 -.00005 .00086 -.00905 -.00819 .91466 D109 -1.10947 .00001 .00138 -.00954 -.00816 -1.11762 D110 3.10443 -.00003 .00105 -.00925 -.00821 3.09622 D111 2.99874 -.00010 .00078 -.00951 -.00873 2.99001 D112 .96642 -.00004 .00130 -.01000 -.00869 .95773 D113 -1.10287 -.00008 .00097 -.00971 -.00875 -1.11161 D114 -2.66638 .00008 .00061 -.00155 -.00094 -2.66732 D115 1.57024 .00001 .00047 -.00159 -.00113 1.56911 D116 -.63849 .00002 .00044 -.00158 -.00114 -.63963 D117 -.60625 -.00004 -.00007 -.00079 -.00086 -.60711 D118 -2.65281 -.00011 -.00022 -.00083 -.00105 -2.65386 D119 1.42164 -.00010 -.00024 -.00082 -.00107 1.42058 D120 1.43096 .00006 .00022 -.00051 -.00029 1.43066 D121 -.61560 -.00002 .00007 -.00055 -.00049 -.61609 D122 -2.82433 -.00001 .00004 -.00054 -.00050 -2.82483 D123 2.57792 -.00006 -.00061 .00101 .00040 2.57832 D124 .39450 .00003 .00003 -.00029 -.00026 .39424 D125 -1.63632 -.00003 -.00012 -.00046 -.00059 -1.63691 D126 .59187 .00002 .00012 .00133 .00145 .59331 D127 -1.40540 -.00008 .00040 -.00035 .00005 -1.40535 D128 2.70366 -.00006 .00037 -.00037 .00000 2.70366 D129 2.71826 .00014 .00039 .00124 .00162 2.71988 D130 .72099 .00005 .00067 -.00045 .00022 .72121 D131 -1.45313 .00007 .00064 -.00046 .00018 -1.45296 D132 -1.43022 .00002 .00025 .00065 .00090 -1.42932 D133 2.85570 -.00007 .00054 -.00104 -.00050 2.85520 D134 .68158 -.00005 .00051 -.00105 -.00054 .68103 D135 -1.28516 -.00001 -.00090 .00464 .00374 -1.28142 D136 3.02842 -.00007 -.00102 .00462 .00360 3.03202 D137 .90771 .00003 -.00086 .00517 .00430 .91202 D138 1.69085 -.00009 -.00014 -.00249 -.00263 1.68821 D139 -.38401 -.00001 -.00008 -.00151 -.00159 -.38561 D140 -2.49427 -.00002 .00006 -.00254 -.00248 -2.49675 D141 -2.56599 -.00012 -.00044 -.00179 -.00223 -2.56821 D142 1.64234 -.00004 -.00039 -.00080 -.00119 1.64115 D143 -.46792 -.00006 -.00024 -.00183 -.00208 -.46999 D144 -.43671 -.00007 -.00043 -.00115 -.00157 -.43829 D145 -2.51157 .00001 -.00037 -.00016 -.00053 -2.51211 D146 1.66136 .00000 -.00023 -.00120 -.00142 1.65993 D147 -.59223 .00004 -.00143 .00739 .00596 -.58627 D148 -2.53312 .00003 -.00130 .00723 .00593 -2.52719 D149 1.60745 .00002 -.00134 .00716 .00582 1.61328 D150 1.42049 .00002 -.00077 .00516 .00438 1.42487 D151 -1.75730 .00002 -.00077 .00514 .00437 -1.75294 D152 -2.80093 -.00001 -.00086 .00469 .00383 -2.79710 D153 .30446 -.00001 -.00086 .00467 .00381 .30828 D154 -.70941 .00003 -.00061 .00444 .00384 -.70557 D155 2.39598 .00003 -.00060 .00442 .00382 2.39980 D156 -.00629 .00000 .00002 .00118 .00120 -.00509 D157 -2.13729 -.00008 -.00018 .00212 .00194 -2.13535 D158 2.09709 -.00009 -.00049 .00274 .00225 2.09934 D159 -.01227 -.00001 -.00011 .00014 .00003 -.01225 D160 3.12099 .00001 .00003 .00033 .00036 3.12135 D161 -3.12437 -.00001 -.00011 .00015 .00004 -3.12433 D162 .00889 .00001 .00003 .00034 .00037 .00926 D163 -3.11953 .00002 .00007 .00057 .00064 -3.11888 D164 .01149 -.00006 -.00037 -.00053 -.00090 .01058 D165 -.00832 .00002 .00008 .00055 .00063 -.00769 D166 3.12269 -.00005 -.00036 -.00055 -.00092 3.12177 D167 3.12627 .00001 .00008 .00028 .00036 3.12664 D168 -.00541 -.00001 -.00009 .00006 -.00003 -.00544 D169 -3.13368 -.00001 -.00010 -.00021 -.00031 -3.13399 D170 -.00722 -.00004 -.00013 -.00106 -.00119 -.00841 D171 -.00012 .00000 .00004 -.00003 .00001 -.00011 D172 3.12633 -.00002 .00001 -.00088 -.00087 3.12547 D173 .00380 -.00001 .00002 -.00029 -.00027 .00352 D174 -3.13629 .00004 .00015 .00075 .00090 -3.13539 D175 .00367 .00002 .00011 .00048 .00059 .00426 D176 -3.13941 -.00002 -.00003 -.00055 -.00058 -3.13999 D177 3.11009 .00003 .00016 .00062 .00078 3.11087 D178 -.00956 -.00003 -.00016 -.00040 -.00055 -.01012 D179 2.88034 -.00008 .00018 -.00333 -.00316 2.87719 D180 .28500 .00001 -.00058 .00222 .00165 .28665 D181 -.28393 -.00002 .00051 -.00228 -.00178 -.28570 D182 -2.87927 .00007 -.00025 .00327 .00302 -2.87624 D183 .00792 .00002 .00009 .00020 .00029 .00822 D184 -3.11430 .00005 .00012 .00129 .00142 -3.11288 D185 -3.11097 -.00005 -.00024 -.00085 -.00108 -3.11206 D186 .04999 -.00002 -.00021 .00024 .00004 .05003 D187 .00228 .00005 .00017 .00136 .00153 .00382 D188 3.12529 .00002 .00014 .00032 .00046 3.12575 D189 .00375 -.00004 -.00015 -.00117 -.00132 .00243 D190 -3.12675 .00004 .00031 -.00001 .00030 -3.12644 Item Value Threshold Converged? Maximum Force .000562 .000450 NO RMS Force .000100 .000300 YES Maximum Displacement .072571 .001800 NO RMS Displacement .017083 .001200 NO Predicted change in Energy=-1.883611D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.129141 -.406389 -1.453780 2 8 0 2.527135 -.299057 -2.213924 3 15 0 3.845911 .658332 -2.086580 4 8 0 4.463025 .069999 -.670797 5 6 0 5.618780 -.701489 -.577151 6 6 0 5.415297 -1.804515 .452544 7 6 0 4.377091 -2.878728 .103728 8 6 0 3.114817 -2.237959 .653162 9 6 0 3.646630 -1.621949 1.940345 10 7 0 2.822398 -.439282 2.342945 11 6 0 1.708120 -.685416 3.047452 12 6 0 .872583 .326916 3.417641 13 6 0 1.190468 1.625492 3.034572 14 6 0 2.308962 1.859668 2.261834 15 6 0 2.609258 3.276342 1.841552 16 7 0 3.230444 3.434996 .672715 17 8 0 2.298986 4.173739 2.587278 18 6 0 3.107775 .788333 1.914445 19 8 0 4.943139 -1.240921 1.691830 20 8 0 2.008130 -3.029033 .857681 21 8 0 4.630564 -4.067759 .808282 22 8 0 4.763504 .288914 -3.164717 23 8 0 3.431149 2.037242 -1.776892 24 8 0 .155236 .307165 -2.520559 25 6 0 -1.207334 -.007321 -2.608766 26 6 0 -2.043488 1.059714 -1.918978 27 6 0 -1.984916 1.129018 -.386850 28 6 0 -3.352918 1.729443 -.064220 29 6 0 -4.245527 1.133846 -1.153272 30 7 0 -4.976061 -.055359 -.711636 31 6 0 -6.133087 -.064526 .006261 32 7 0 -6.833147 .969574 .465841 33 6 0 -7.911568 .586374 1.104478 34 7 0 -8.350171 -.648452 1.330636 35 6 0 -7.631192 -1.663169 .871138 36 7 0 -8.046865 -2.926282 1.125206 37 6 0 -6.458235 -1.394736 .163298 38 7 0 -5.526340 -2.201501 -.455098 39 6 0 -4.681051 -1.372890 -.953536 40 8 0 -3.411076 .763363 -2.199344 41 8 0 -3.322476 3.112963 -.247272 42 8 0 -1.000534 1.953861 .130197 43 8 0 1.155246 .401584 -.199659 44 8 0 .758515 -1.837375 -1.319722 45 1 0 6.440711 -.071755 -.249157 46 1 0 5.886568 -1.128871 -1.534412 47 1 0 6.372622 -2.265121 .667424 48 1 0 4.301985 -3.057711 -.962197 49 1 0 2.889729 -1.420665 .003098 50 1 0 3.594072 -2.306676 2.775139 51 1 0 1.523367 -1.711702 3.289631 52 1 0 -.010559 .107959 3.984812 53 1 0 .571119 2.454921 3.315266 54 1 0 3.370828 4.381852 .394861 55 1 0 3.215955 2.766760 -.091948 56 1 0 3.976040 .884119 1.300903 57 1 0 1.392298 -2.806797 .148799 58 1 0 5.317569 -4.552879 .374037 59 1 0 -1.404766 -.985413 -2.189646 60 1 0 -1.471430 -.028314 -3.658327 61 1 0 -1.793040 2.031591 -2.325408 62 1 0 -1.913752 .123087 .022097 63 1 0 -3.706494 1.481140 .930200 64 1 0 -4.978091 1.856416 -1.478193 65 1 0 -8.531445 1.371268 1.499826 66 1 0 -7.642272 -3.663477 .593732 67 1 0 -8.989441 -3.037483 1.422006 68 1 0 -3.819117 -1.644959 -1.522182 69 1 0 -2.449310 3.408697 -.010963 70 1 0 -.137854 1.526846 .014624 --------------------------------------------------------------------- Rotational constants (GHZ): .1242949 .0377642 .0367486 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6571.6073216796 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32024603 A.U. after 11 cycles Convg = .6465D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000453829 .000010690 -.000170987 2 8 .000201887 -.000082910 .000225209 3 15 .000167035 .000229127 -.000010238 4 8 .000061297 .000220546 -.000319472 5 6 -.000081576 -.000173363 .000052228 6 6 .000119973 -.000020729 -.000008102 7 6 -.000050628 .000093931 -.000092021 8 6 -.000129850 -.000311243 .000141549 9 6 .000329296 .000122176 -.000068566 10 7 -.000244916 -.000178969 -.000052789 11 6 .000046635 .000127105 -.000040672 12 6 -.000016114 -.000051192 .000032103 13 6 .000059838 .000023714 .000040175 14 6 -.000336181 .000210225 .000067413 15 6 .000398380 -.000421673 -.000288265 16 7 -.000129002 .000218181 -.000170049 17 8 -.000056068 .000186378 .000120206 18 6 .000175261 .000126625 .000162684 19 8 .000049565 -.000014045 .000066711 20 8 .000288338 .000042750 .000202562 21 8 .000019621 .000011486 -.000024046 22 8 .000017602 -.000098883 .000034339 23 8 -.000188807 .000209132 .000070236 24 8 .000273565 -.000220687 -.000306396 25 6 -.000102659 .000224643 .000212356 26 6 -.000179539 .000105072 -.000107673 27 6 .000135816 .000315572 -.000202306 28 6 .000070343 -.000026495 .000085794 29 6 -.000142198 -.000333426 -.000074210 30 7 -.000156661 .000188202 .000038065 31 6 .000021305 -.000142785 -.000015544 32 7 .000045653 .000022559 .000023013 33 6 -.000067103 .000004831 -.000030094 34 7 -.000002477 .000043587 .000025454 35 6 -.000022506 -.000015247 -.000070677 36 7 .000046617 -.000053628 .000112138 37 6 -.000063195 .000093213 -.000039017 38 7 .000091970 -.000010177 .000103113 39 6 .000072045 -.000001415 -.000052415 40 8 .000261006 -.000059717 .000022958 41 8 .000061057 -.000041439 -.000064274 42 8 -.000020785 -.000093912 .000132806 43 8 -.000095215 -.000028700 -.000075729 44 8 .000211137 .000108832 .000111716 45 1 -.000023391 .000031619 .000007880 46 1 -.000016140 .000040400 -.000032145 47 1 -.000009182 .000058792 .000018622 48 1 .000039498 -.000057159 .000004039 49 1 .000109823 .000020501 .000094937 50 1 -.000016412 .000012921 -.000005971 51 1 -.000003394 -.000004481 .000000839 52 1 -.000018996 .000016705 -.000032748 53 1 -.000022705 -.000050942 .000038434 54 1 -.000011238 .000009399 .000077632 55 1 .000190160 -.000405136 .000153552 56 1 -.000163533 -.000025076 -.000018568 57 1 -.000565906 -.000150828 -.000235835 58 1 .000002722 -.000013881 .000003845 59 1 -.000058910 .000019830 .000077972 60 1 .000013361 -.000049611 .000008273 61 1 .000016594 .000028845 .000049370 62 1 -.000012387 -.000134325 .000076176 63 1 -.000046066 .000035416 -.000003762 64 1 .000023023 .000083315 .000115814 65 1 .000003964 -.000001560 .000021140 66 1 -.000025329 -.000004306 -.000037949 67 1 -.000019627 -.000002433 -.000029305 68 1 -.000035702 .000004362 -.000056222 69 1 -.000034911 .000015291 .000010634 70 1 -.000001249 -.000035604 -.000105938 ------------------------------------------------------------------- Cartesian Forces: Max .000565906 RMS .000135975 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .001019932 RMS .000158287 Search for a local minimum. Step number 8 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 Trust test= 4.08D-01 RLast= 4.46D-02 DXMaxT set to 5.00D-02 Eigenvalues --- .00287 .00527 .00576 .00697 .00782 Eigenvalues --- .00877 .00998 .01029 .01166 .01451 Eigenvalues --- .01561 .01623 .01696 .01822 .01843 Eigenvalues --- .01975 .01999 .02161 .02178 .02255 Eigenvalues --- .02286 .02293 .02310 .02326 .02360 Eigenvalues --- .02384 .02396 .02448 .02517 .02525 Eigenvalues --- .02532 .02562 .02618 .02716 .02746 Eigenvalues --- .02769 .02997 .03036 .03243 .03267 Eigenvalues --- .03313 .03422 .03772 .03849 .03952 Eigenvalues --- .04029 .04268 .04800 .04947 .05109 Eigenvalues --- .05146 .05254 .05444 .05608 .05684 Eigenvalues --- .05759 .05915 .06008 .06032 .06119 Eigenvalues --- .06239 .06308 .06516 .06968 .07063 Eigenvalues --- .07685 .07797 .07974 .08187 .08306 Eigenvalues --- .08496 .08827 .09755 .10379 .10940 Eigenvalues --- .11477 .11549 .13193 .13312 .14168 Eigenvalues --- .14717 .15618 .15781 .15983 .15998 Eigenvalues --- .15999 .16000 .16000 .16000 .16000 Eigenvalues --- .16000 .16000 .16000 .16001 .16033 Eigenvalues --- .16154 .16355 .16495 .16630 .16803 Eigenvalues --- .17032 .17606 .17662 .18058 .18811 Eigenvalues --- .19725 .19966 .20832 .21752 .22034 Eigenvalues --- .22070 .23144 .23461 .23488 .23615 Eigenvalues --- .23690 .24408 .24803 .24940 .24984 Eigenvalues --- .24989 .24991 .24996 .24998 .24999 Eigenvalues --- .25533 .25893 .26561 .28427 .28526 Eigenvalues --- .28772 .28885 .29851 .30068 .31479 Eigenvalues --- .32104 .34936 .35247 .35494 .35534 Eigenvalues --- .35574 .35651 .35678 .35715 .35743 Eigenvalues --- .35835 .35914 .36093 .36459 .36545 Eigenvalues --- .36901 .36958 .37152 .37201 .37491 Eigenvalues --- .37530 .39166 .39504 .41042 .41229 Eigenvalues --- .42608 .44450 .44779 .44900 .44961 Eigenvalues --- .45104 .45207 .45364 .45977 .46011 Eigenvalues --- .46362 .47062 .48275 .48290 .48395 Eigenvalues --- .48631 .48697 .48739 .49037 .49858 Eigenvalues --- .51141 .51183 .51894 .52655 .54219 Eigenvalues --- .55009 .55444 .55832 .56523 .57338 Eigenvalues --- .57897 .58469 .58488 .59362 .60016 Eigenvalues --- .62820 .68243 .77611 .80715 .83887 Eigenvalues --- .86885 .90224 1.01252 4.664971000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.86277279D-05. Quartic linear search produced a step of -.36052. Maximum step size ( .050) exceeded in Quadratic search. -- Step size scaled by .714 Iteration 1 RMS(Cart)= .01528967 RMS(Int)= .00003334 Iteration 2 RMS(Cart)= .00007273 RMS(Int)= .00000128 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000128 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01394 .00008 -.00003 .00012 .00009 3.01402 R2 3.04455 -.00002 -.00006 .00017 .00011 3.04466 R3 2.81963 -.00010 -.00011 .00030 .00020 2.81983 R4 2.80486 -.00009 .00006 -.00023 -.00017 2.80469 R5 3.08898 .00001 -.00015 .00045 .00029 3.08928 R6 3.12315 -.00010 .00003 -.00013 -.00010 3.12304 R7 2.76496 .00001 .00003 -.00011 -.00008 2.76489 R8 2.78331 .00026 .00004 .00002 .00006 2.78337 R9 2.63190 .00018 -.00002 .00022 .00020 2.63210 R10 2.87732 .00032 .00007 .00035 .00042 2.87774 R11 2.05252 .00000 .00003 -.00009 -.00006 2.05246 R12 2.04468 .00001 -.00001 .00003 .00003 2.04470 R13 2.89904 .00028 .00001 .00017 .00018 2.89922 R14 2.72304 -.00003 .00015 -.00060 -.00045 2.72260 R15 2.04824 -.00003 -.00005 .00011 .00006 2.04830 R16 2.86952 .00008 .00007 -.00001 .00006 2.86958 R17 2.65534 .00000 .00000 -.00002 -.00002 2.65533 R18 2.04743 .00000 .00001 -.00002 -.00001 2.04742 R19 2.87781 .00009 .00032 -.00063 -.00031 2.87749 R20 2.59958 .00026 .00003 .00019 .00021 2.59979 R21 2.01875 -.00006 .00004 -.00026 -.00022 2.01853 R22 2.82837 -.00008 .00033 -.00120 -.00087 2.82750 R23 2.59648 .00001 -.00024 .00079 .00055 2.59704 R24 2.04274 -.00001 .00000 -.00001 -.00001 2.04273 R25 2.53430 -.00005 .00004 -.00021 -.00017 2.53413 R26 2.51560 -.00035 -.00030 .00066 .00036 2.51596 R27 2.57723 .00018 -.00009 .00042 .00033 2.57756 R28 2.02302 .00001 .00001 -.00004 -.00003 2.02299 R29 2.62807 .00020 .00007 -.00010 -.00002 2.62805 R30 2.02612 -.00001 -.00001 .00002 .00001 2.02613 R31 2.60686 .00003 -.00021 .00068 .00047 2.60733 R32 2.02680 -.00002 .00002 -.00009 -.00007 2.02674 R33 2.84953 -.00028 -.00019 .00026 .00006 2.84959 R34 2.60929 -.00042 .00013 -.00079 -.00066 2.60862 R35 2.51924 -.00005 .00013 -.00035 -.00021 2.51903 R36 2.28156 .00023 .00005 -.00010 -.00005 2.28151 R37 1.88352 -.00001 .00002 -.00004 -.00003 1.88350 R38 1.91922 .00015 .00005 .00001 .00006 1.91928 R39 2.01723 -.00012 -.00013 .00028 .00015 2.01737 R40 1.82351 .00061 .00005 .00021 .00026 1.82378 R41 1.78865 .00001 .00000 .00000 .00000 1.78865 R42 2.64783 .00010 -.00005 .00019 .00013 2.64796 R43 2.87433 -.00001 .00011 -.00032 -.00021 2.87411 R44 2.04519 .00002 -.00008 .00026 .00018 2.04537 R45 2.04559 -.00001 -.00002 .00004 .00002 2.04562 R46 2.90037 -.00007 .00002 -.00016 -.00014 2.90024 R47 2.69690 -.00011 -.00006 .00014 .00007 2.69698 R48 2.04619 .00001 -.00002 .00007 .00005 2.04624 R49 2.88827 .00000 -.00005 .00016 .00011 2.88838 R50 2.61624 -.00009 .00003 -.00007 -.00005 2.61619 R51 2.05642 .00015 .00003 -.00001 .00002 2.05644 R52 2.88919 .00009 -.00004 .00016 .00012 2.88932 R53 2.63789 -.00002 .00017 -.00054 -.00037 2.63751 R54 2.04889 .00000 .00000 .00002 .00002 2.04890 R55 2.76632 -.00005 -.00023 .00066 .00043 2.76675 R56 2.62382 .00010 .00010 -.00022 -.00013 2.62369 R57 2.03909 .00001 .00004 -.00011 -.00007 2.03902 R58 2.57320 .00001 -.00002 .00007 .00004 2.57324 R59 2.59205 .00001 .00014 -.00039 -.00025 2.59180 R60 2.51458 .00003 .00004 -.00012 -.00008 2.51451 R61 2.60470 -.00004 -.00005 .00015 .00009 2.60479 R62 2.47669 .00004 -.00001 .00003 .00002 2.47671 R63 2.51292 .00000 -.00001 .00003 .00002 2.51294 R64 2.03232 .00000 .00000 -.00001 .00000 2.03231 R65 2.50538 .00005 .00004 -.00011 -.00007 2.50531 R66 2.55832 .00006 -.00017 .00056 .00039 2.55871 R67 2.63813 .00003 .00001 -.00004 -.00002 2.63810 R68 1.87989 .00001 -.00002 .00008 .00006 1.87995 R69 1.87921 .00001 -.00003 .00010 .00007 1.87928 R70 2.60598 .00004 .00000 .00002 .00002 2.60600 R71 2.42707 .00001 -.00003 .00008 .00005 2.42712 R72 2.01795 .00000 -.00006 .00015 .00010 2.01805 R73 1.79844 -.00002 -.00004 .00012 .00007 1.79851 R74 1.83207 -.00002 .00009 -.00031 -.00021 1.83187 R75 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D167 3.12664 -.00002 -.00013 .00001 -.00012 3.12651 D168 -.00544 -.00001 .00001 -.00018 -.00017 -.00561 D169 -3.13399 .00001 .00011 -.00006 .00005 -3.13393 D170 -.00841 .00003 .00043 -.00064 -.00022 -.00863 D171 -.00011 .00001 .00000 .00009 .00009 -.00002 D172 3.12547 .00002 .00031 -.00049 -.00018 3.12529 D173 .00352 .00002 .00010 -.00002 .00007 .00360 D174 -3.13539 -.00002 -.00033 .00052 .00019 -3.13519 D175 .00426 -.00001 -.00021 .00030 .00009 .00435 D176 -3.13999 .00002 .00021 -.00024 -.00003 -3.14002 D177 3.11087 -.00001 -.00028 .00045 .00017 3.11104 D178 -.01012 .00000 .00020 -.00037 -.00017 -.01029 D179 2.87719 -.00003 .00114 -.00358 -.00244 2.87474 D180 .28665 .00003 -.00059 .00252 .00192 .28857 D181 -.28570 -.00004 .00064 -.00273 -.00209 -.28779 D182 -2.87624 .00002 -.00109 .00337 .00228 -2.87397 D183 .00822 .00000 -.00011 .00020 .00009 .00831 D184 -3.11288 -.00002 -.00051 .00095 .00044 -3.11244 D185 -3.11206 .00001 .00039 -.00065 -.00026 -3.11232 D186 .05003 -.00001 -.00001 .00010 .00009 .05012 D187 .00382 -.00004 -.00055 .00064 .00009 .00390 D188 3.12575 -.00002 -.00016 -.00008 -.00025 3.12550 D189 .00243 .00005 .00048 -.00039 .00008 .00252 D190 -3.12644 .00005 -.00011 .00081 .00070 -3.12574 Item Value Threshold Converged? Maximum Force .001020 .000450 NO RMS Force .000158 .000300 YES Maximum Displacement .054800 .001800 NO RMS Displacement .015281 .001200 NO Predicted change in Energy=-1.663558D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.132084 -.408553 -1.458472 2 8 0 2.530455 -.283133 -2.215244 3 15 0 3.838851 .687319 -2.078101 4 8 0 4.460366 .092403 -.667064 5 6 0 5.622301 -.670653 -.579422 6 6 0 5.428061 -1.784908 .440253 7 6 0 4.398493 -2.864226 .081324 8 6 0 3.131060 -2.239439 .637333 9 6 0 3.658079 -1.630897 1.929832 10 7 0 2.825787 -.457813 2.342055 11 6 0 1.712019 -.716100 3.042836 12 6 0 .869106 .288316 3.418472 13 6 0 1.179620 1.591587 3.045481 14 6 0 2.298884 1.838515 2.277396 15 6 0 2.590803 3.260160 1.868020 16 7 0 3.223770 3.430370 .707285 17 8 0 2.264446 4.150587 2.615191 18 6 0 3.104479 .774916 1.923354 19 8 0 4.951521 -1.236601 1.684437 20 8 0 2.030890 -3.041495 .834880 21 8 0 4.662057 -4.057959 .774109 22 8 0 4.761401 .336963 -3.158314 23 8 0 3.408863 2.058943 -1.756891 24 8 0 .154056 .304039 -2.522205 25 6 0 -1.208300 -.013071 -2.605303 26 6 0 -2.043750 1.055432 -1.917182 27 6 0 -1.986706 1.126291 -.385141 28 6 0 -3.354135 1.729226 -.064487 29 6 0 -4.246348 1.132432 -1.153299 30 7 0 -4.977220 -.056344 -.710317 31 6 0 -6.136393 -.064580 .004162 32 7 0 -6.838942 .970084 .458522 33 6 0 -7.918955 .587718 1.094988 34 7 0 -8.356915 -.646915 1.323506 35 6 0 -7.635401 -1.662222 .869419 36 7 0 -8.050733 -2.925178 1.125919 37 6 0 -6.460600 -1.394699 .164324 38 7 0 -5.526062 -2.202225 -.449093 39 6 0 -4.680239 -1.374139 -.947568 40 8 0 -3.411471 .760260 -2.198343 41 8 0 -3.321489 3.112301 -.249013 42 8 0 -1.001277 1.949740 .132068 43 8 0 1.148948 .390551 -.198400 44 8 0 .774932 -1.843799 -1.334784 45 1 0 6.438785 -.036895 -.245727 46 1 0 5.893947 -1.087218 -1.540373 47 1 0 6.389056 -2.239896 .650842 48 1 0 4.324391 -3.033464 -.986257 49 1 0 2.898971 -1.417893 -.004666 50 1 0 3.610907 -2.323708 2.758250 51 1 0 1.533357 -1.745171 3.277590 52 1 0 -.013668 .059564 3.982350 53 1 0 .554524 2.415265 3.330214 54 1 0 3.359199 4.379749 .435699 55 1 0 3.226911 2.764886 -.059944 56 1 0 3.973022 .880083 1.311609 57 1 0 1.413428 -2.819671 .127098 58 1 0 5.352725 -4.533187 .334767 59 1 0 -1.402936 -.990066 -2.182088 60 1 0 -1.475950 -.038582 -3.653875 61 1 0 -1.791259 2.026419 -2.324539 62 1 0 -1.917734 .120798 .025285 63 1 0 -3.709143 1.482513 .929830 64 1 0 -4.978897 1.854448 -1.479362 65 1 0 -8.540950 1.373137 1.485936 66 1 0 -7.644789 -3.662900 .596148 67 1 0 -8.994795 -3.035900 1.418263 68 1 0 -3.816718 -1.647013 -1.513510 69 1 0 -2.446929 3.406745 -.016122 70 1 0 -.139303 1.522261 .013897 --------------------------------------------------------------------- Rotational constants (GHZ): .1245051 .0377270 .0367321 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6571.4458514892 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32024788 A.U. after 11 cycles Convg = .5954D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000316509 .000189164 .000233209 2 8 .000287576 .000056712 .000108309 3 15 -.000154708 -.000109670 -.000245903 4 8 .000156550 .000243148 -.000142559 5 6 .000014736 -.000254329 -.000029008 6 6 .000014305 .000037092 -.000177704 7 6 -.000069958 .000034863 -.000094947 8 6 -.000198665 -.000336873 .000053629 9 6 .000502385 .000132404 -.000043217 10 7 -.000373562 .000014800 -.000101366 11 6 .000018139 .000176988 -.000063474 12 6 .000112703 -.000021004 .000037220 13 6 .000115012 -.000039391 -.000007527 14 6 -.000600847 .000303953 .000071445 15 6 .000521125 -.000596974 -.000235176 16 7 .000454505 .000165402 .000045636 17 8 -.000065574 .000234777 .000071679 18 6 .000244649 .000010617 .000209034 19 8 -.000074741 -.000237254 .000201983 20 8 .000340636 .000053127 .000188852 21 8 .000044166 .000009673 -.000008716 22 8 .000104689 -.000059436 .000005353 23 8 .000200595 .000130590 .000236360 24 8 .000262051 -.000324988 -.000341979 25 6 -.000033115 .000186703 .000242769 26 6 -.000230950 .000076375 -.000086206 27 6 .000203904 .000365021 -.000055303 28 6 .000145348 -.000195613 .000127106 29 6 -.000174316 -.000385621 -.000003631 30 7 -.000178972 .000383235 .000020625 31 6 .000046666 -.000168157 .000027687 32 7 .000026218 .000051820 .000030730 33 6 -.000044765 -.000008989 -.000044976 34 7 .000003386 .000047060 .000043911 35 6 -.000055152 -.000053017 -.000124880 36 7 .000053299 -.000015326 .000091437 37 6 -.000028559 .000115443 -.000049261 38 7 .000100319 -.000037476 .000102007 39 6 .000057232 -.000086202 -.000088201 40 8 .000284902 -.000006868 -.000033585 41 8 .000018366 .000040313 -.000181891 42 8 -.000184400 -.000052777 .000027142 43 8 -.000171797 -.000145742 -.000180058 44 8 .000081169 .000022596 -.000018747 45 1 .000012776 .000004868 .000040323 46 1 -.000014066 .000053184 -.000021718 47 1 -.000013175 .000106057 -.000028586 48 1 .000042563 -.000045883 .000002918 49 1 .000038258 .000092783 -.000015781 50 1 .000022545 .000069308 .000062213 51 1 .000011041 -.000040229 -.000028306 52 1 -.000022818 .000028332 -.000046232 53 1 -.000043349 -.000050974 .000053431 54 1 -.000113680 -.000020238 -.000008864 55 1 -.000649504 .000028094 -.000080107 56 1 -.000281443 -.000012505 .000169318 57 1 -.000387097 -.000070996 -.000180808 58 1 .000000541 -.000021962 .000004514 59 1 -.000078295 .000033974 .000067935 60 1 .000069744 -.000028042 .000004201 61 1 -.000064638 .000022044 .000040535 62 1 -.000017680 -.000158162 .000022564 63 1 -.000013791 .000056178 .000016721 64 1 .000021226 .000095187 .000074249 65 1 .000010183 -.000001224 .000023798 66 1 -.000012632 -.000004293 -.000026202 67 1 -.000011089 .000002921 -.000015548 68 1 -.000054362 .000009200 -.000014214 69 1 -.000056793 -.000006758 .000071198 70 1 .000147493 -.000087034 -.000005362 ------------------------------------------------------------------- Cartesian Forces: Max .000649504 RMS .000162216 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000757992 RMS .000153435 Search for a local minimum. Step number 9 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 Trust test= 1.11D-01 RLast= 3.89D-02 DXMaxT set to 5.00D-02 Eigenvalues --- .00097 .00547 .00588 .00700 .00796 Eigenvalues --- .00956 .00999 .01131 .01439 .01475 Eigenvalues --- .01562 .01623 .01813 .01841 .01909 Eigenvalues --- .01984 .01993 .02151 .02173 .02255 Eigenvalues --- .02287 .02293 .02310 .02326 .02383 Eigenvalues --- .02389 .02399 .02459 .02517 .02525 Eigenvalues --- .02555 .02584 .02714 .02731 .02761 Eigenvalues --- .02889 .02992 .03054 .03222 .03311 Eigenvalues --- .03439 .03767 .03848 .03915 .04023 Eigenvalues --- .04266 .04804 .04861 .04975 .05124 Eigenvalues --- .05187 .05433 .05589 .05672 .05730 Eigenvalues --- .05888 .05963 .06025 .06086 .06205 Eigenvalues --- .06290 .06506 .06663 .07055 .07127 Eigenvalues --- .07693 .07830 .08119 .08298 .08453 Eigenvalues --- .08836 .09036 .09813 .10420 .11113 Eigenvalues --- .11485 .11544 .13232 .13315 .14172 Eigenvalues --- .14721 .15623 .15843 .15985 .15998 Eigenvalues --- .15999 .16000 .16000 .16000 .16000 Eigenvalues --- .16000 .16000 .16000 .16007 .16071 Eigenvalues --- .16185 .16400 .16609 .16755 .17006 Eigenvalues --- .17461 .17649 .17968 .18656 .19195 Eigenvalues --- .19866 .20146 .20860 .21820 .22048 Eigenvalues --- .22697 .23143 .23455 .23520 .23615 Eigenvalues --- .23814 .24537 .24804 .24984 .24988 Eigenvalues --- .24991 .24996 .24998 .24999 .25393 Eigenvalues --- .25724 .26516 .27659 .28424 .28527 Eigenvalues --- .28770 .29088 .30012 .30271 .31508 Eigenvalues --- .32465 .34986 .35255 .35494 .35533 Eigenvalues --- .35584 .35662 .35702 .35736 .35753 Eigenvalues --- .35880 .36092 .36366 .36545 .36682 Eigenvalues --- .36900 .36958 .37157 .37200 .37516 Eigenvalues --- .37666 .39234 .39652 .41076 .41286 Eigenvalues --- .43704 .44643 .44796 .44903 .45039 Eigenvalues --- .45071 .45222 .45336 .45994 .46039 Eigenvalues --- .46334 .47009 .48280 .48358 .48418 Eigenvalues --- .48631 .48697 .48787 .49857 .50757 Eigenvalues --- .51145 .51174 .52117 .52680 .54173 Eigenvalues --- .54922 .55694 .55833 .56831 .57344 Eigenvalues --- .57896 .58475 .58764 .59585 .60037 Eigenvalues --- .62811 .68255 .79552 .81228 .85965 Eigenvalues --- .87147 .90241 1.01345 4.596161000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-3.33568522D-05. Quartic linear search produced a step of -.46399. Maximum step size ( .050) exceeded in Quadratic search. -- Step size scaled by .385 Iteration 1 RMS(Cart)= .02170392 RMS(Int)= .00004199 Iteration 2 RMS(Cart)= .00011828 RMS(Int)= .00000100 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000100 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01402 .00019 -.00004 .00014 .00010 3.01412 R2 3.04466 -.00012 -.00005 .00015 .00009 3.04476 R3 2.81983 -.00026 -.00009 .00029 .00020 2.82003 R4 2.80469 .00002 .00008 -.00022 -.00014 2.80455 R5 3.08928 -.00008 -.00014 .00042 .00029 3.08956 R6 3.12304 -.00033 .00005 -.00017 -.00012 3.12292 R7 2.76489 .00008 .00004 -.00011 -.00008 2.76481 R8 2.78337 .00012 -.00003 .00003 .00000 2.78337 R9 2.63210 -.00030 -.00009 .00014 .00005 2.63215 R10 2.87774 -.00003 -.00020 .00038 .00018 2.87792 R11 2.05246 .00002 .00003 -.00008 -.00005 2.05241 R12 2.04470 .00000 -.00001 .00003 .00002 2.04472 R13 2.89922 .00016 -.00008 .00022 .00013 2.89935 R14 2.72260 .00022 .00021 -.00050 -.00030 2.72230 R15 2.04830 -.00006 -.00003 .00009 .00006 2.04836 R16 2.86958 .00013 -.00003 .00002 -.00001 2.86957 R17 2.65533 .00002 .00001 -.00001 -.00001 2.65532 R18 2.04742 .00000 .00000 -.00001 -.00001 2.04741 R19 2.87749 .00025 .00015 -.00055 -.00040 2.87709 R20 2.59979 .00003 -.00010 .00019 .00009 2.59989 R21 2.01853 .00007 .00010 -.00029 -.00019 2.01834 R22 2.82750 .00054 .00040 -.00105 -.00065 2.82686 R23 2.59704 .00015 -.00026 .00080 .00054 2.59758 R24 2.04273 .00000 .00000 .00000 .00000 2.04273 R25 2.53413 -.00007 .00008 -.00026 -.00018 2.53394 R26 2.51596 -.00005 -.00017 .00068 .00052 2.51648 R27 2.57756 -.00004 -.00015 .00037 .00022 2.57778 R28 2.02299 .00003 .00001 -.00003 -.00002 2.02297 R29 2.62805 -.00010 .00001 -.00020 -.00019 2.62786 R30 2.02613 -.00001 .00000 .00001 .00001 2.02614 R31 2.60733 -.00013 -.00022 .00066 .00044 2.60777 R32 2.02674 .00000 .00003 -.00009 -.00006 2.02668 R33 2.84959 -.00009 -.00003 .00028 .00025 2.84984 R34 2.60862 .00021 .00031 -.00070 -.00039 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-.57722 D148 -2.52265 -.00008 -.00211 .00661 .00450 -2.51815 D149 1.61791 -.00002 -.00215 .00673 .00458 1.62249 D150 1.42811 -.00002 -.00150 .00464 .00314 1.43124 D151 -1.74974 -.00002 -.00148 .00466 .00318 -1.74656 D152 -2.79407 -.00005 -.00140 .00439 .00299 -2.79109 D153 .31127 -.00004 -.00139 .00441 .00302 .31429 D154 -.70234 .00003 -.00150 .00450 .00300 -.69935 D155 2.40299 .00004 -.00148 .00452 .00304 2.40603 D156 -.00420 -.00001 -.00041 .00112 .00071 -.00349 D157 -2.13416 -.00008 -.00055 .00165 .00110 -2.13306 D158 2.10070 -.00011 -.00063 .00205 .00141 2.10212 D159 -.01207 .00000 -.00008 .00029 .00021 -.01186 D160 3.12156 .00000 -.00010 .00031 .00021 3.12177 D161 -3.12412 .00000 -.00010 .00027 .00017 -3.12394 D162 .00951 -.00001 -.00012 .00029 .00017 .00969 D163 -3.11907 -.00003 .00009 -.00017 -.00009 -3.11916 D164 .00980 -.00002 .00036 -.00088 -.00052 .00929 D165 -.00791 -.00003 .00010 -.00016 -.00006 -.00797 D166 3.12097 -.00001 .00037 -.00086 -.00049 3.12048 D167 3.12651 -.00002 .00006 -.00013 -.00007 3.12645 D168 -.00561 -.00001 .00008 -.00015 -.00007 -.00568 D169 -3.13393 .00001 -.00002 .00008 .00006 -3.13388 D170 -.00863 .00003 .00010 -.00034 -.00024 -.00886 D171 -.00002 .00001 -.00004 .00010 .00006 .00004 D172 3.12529 .00003 .00008 -.00032 -.00024 3.12505 D173 .00360 .00001 -.00003 .00002 -.00001 .00359 D174 -3.13519 -.00002 -.00009 .00027 .00018 -3.13501 D175 .00435 -.00001 -.00004 .00014 .00010 .00445 D176 -3.14002 .00002 .00001 -.00010 -.00009 -3.14011 D177 3.11104 -.00002 -.00008 .00018 .00010 3.11114 D178 -.01029 .00001 .00008 -.00019 -.00011 -.01040 D179 2.87474 .00000 .00113 -.00337 -.00224 2.87250 D180 .28857 .00003 -.00089 .00280 .00191 .29048 D181 -.28779 -.00004 .00097 -.00299 -.00202 -.28982 D182 -2.87397 .00000 -.00106 .00318 .00212 -2.87184 D183 .00831 -.00001 -.00004 .00008 .00004 .00834 D184 -3.11244 -.00003 -.00020 .00062 .00042 -3.11202 D185 -3.11232 .00003 .00012 -.00030 -.00018 -3.11250 D186 .05012 .00000 -.00004 .00025 .00021 .05032 D187 .00390 -.00005 -.00004 .00024 .00020 .00411 D188 3.12550 -.00002 .00011 -.00028 -.00016 3.12534 D189 .00252 .00005 -.00004 -.00005 -.00009 .00243 D190 -3.12574 .00003 -.00032 .00069 .00036 -3.12538 Item Value Threshold Converged? Maximum Force .000758 .000450 NO RMS Force .000153 .000300 YES Maximum Displacement .128393 .001800 NO RMS Displacement .021716 .001200 NO Predicted change in Energy=-1.594196D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.139771 -.405190 -1.466067 2 8 0 2.538305 -.258380 -2.218790 3 15 0 3.835243 .725742 -2.068994 4 8 0 4.460843 .123207 -.663080 5 6 0 5.630243 -.629075 -.581366 6 6 0 5.445600 -1.756728 .425424 7 6 0 4.427683 -2.842184 .051777 8 6 0 3.153182 -2.237950 .614299 9 6 0 3.672555 -1.640644 1.914857 10 7 0 2.826882 -.483362 2.342966 11 6 0 1.720859 -.763336 3.047490 12 6 0 .866543 .225948 3.437663 13 6 0 1.157653 1.536736 3.075913 14 6 0 2.269349 1.806250 2.304018 15 6 0 2.538685 3.236279 1.908097 16 7 0 3.157493 3.428289 .743257 17 8 0 2.207150 4.113631 2.668271 18 6 0 3.086617 .757200 1.934467 19 8 0 4.961478 -1.227689 1.674830 20 8 0 2.061146 -3.053848 .800296 21 8 0 4.703110 -4.041819 .729584 22 8 0 4.763786 .397413 -3.150936 23 8 0 3.388970 2.088897 -1.734220 24 8 0 .157385 .309572 -2.524390 25 6 0 -1.204414 -.010978 -2.604036 26 6 0 -2.040111 1.055763 -1.913692 27 6 0 -1.984932 1.122797 -.381454 28 6 0 -3.352223 1.726273 -.060912 29 6 0 -4.243436 1.131928 -1.151933 30 7 0 -4.974317 -.058243 -.711985 31 6 0 -6.135763 -.068351 -.001197 32 7 0 -6.841151 .965097 .451395 33 6 0 -7.922728 .581039 1.084181 34 7 0 -8.359771 -.654309 1.310644 35 6 0 -7.635421 -1.668404 .858502 36 7 0 -8.050091 -2.932196 1.112995 37 6 0 -6.458716 -1.399028 .157343 38 7 0 -5.521257 -2.204931 -.453751 39 6 0 -4.674955 -1.375401 -.949063 40 8 0 -3.407758 .762110 -2.197057 41 8 0 -3.318199 3.109627 -.241614 42 8 0 -.999174 1.943842 .138926 43 8 0 1.146670 .380500 -.197372 44 8 0 .796534 -1.845008 -1.358016 45 1 0 6.439588 .009335 -.239337 46 1 0 5.907845 -1.032294 -1.546311 47 1 0 6.410768 -2.204569 .632383 48 1 0 4.356266 -2.998584 -1.017938 49 1 0 2.913073 -1.410640 -.017093 50 1 0 3.633775 -2.345317 2.733652 51 1 0 1.557693 -1.796820 3.273948 52 1 0 -.009560 -.020232 4.004606 53 1 0 .523464 2.349429 3.371774 54 1 0 3.277351 4.382475 .481417 55 1 0 3.162048 2.771673 -.031565 56 1 0 3.950228 .879561 1.318836 57 1 0 1.443232 -2.830887 .093195 58 1 0 5.398967 -4.504232 .284794 59 1 0 -1.395566 -.988721 -2.180727 60 1 0 -1.475224 -.037016 -3.651796 61 1 0 -1.786211 2.027491 -2.318444 62 1 0 -1.917519 .116373 .026878 63 1 0 -3.708713 1.477176 .932291 64 1 0 -4.976202 1.854160 -1.476916 65 1 0 -8.547109 1.365445 1.473343 66 1 0 -7.642437 -3.668523 .582536 67 1 0 -8.995604 -3.043748 1.400412 68 1 0 -3.809512 -1.646893 -1.512810 69 1 0 -2.442485 3.402394 -.010789 70 1 0 -.137473 1.517026 .017200 --------------------------------------------------------------------- Rotational constants (GHZ): .1246182 .0377077 .0367598 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6571.5305241853 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32025823 A.U. after 11 cycles Convg = .5630D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000187825 .000038224 .000174303 2 8 .000200011 .000120593 .000135361 3 15 -.000064797 .000013008 -.000144692 4 8 .000145126 .000152641 -.000061040 5 6 .000021307 -.000236992 -.000026654 6 6 -.000003650 .000041200 -.000320152 7 6 -.000078868 .000049403 -.000118372 8 6 -.000246270 -.000410098 .000086361 9 6 .000745346 .000083106 -.000073771 10 7 -.000466560 .000134823 -.000088542 11 6 -.000013054 .000214215 -.000014456 12 6 .000137144 -.000122514 .000034047 13 6 .000272538 .000027102 -.000182930 14 6 -.000917003 .000427261 .000235701 15 6 .000446738 -.000622764 -.000400856 16 7 .000009896 .000095928 -.000040351 17 8 -.000038408 .000280841 .000209283 18 6 .000408168 -.000174042 .000225810 19 8 -.000265586 -.000243185 .000302238 20 8 .000409538 .000083753 .000146026 21 8 .000042385 -.000011456 .000007486 22 8 .000091446 -.000086742 -.000047434 23 8 -.000054548 .000073164 .000132712 24 8 .000294364 -.000375225 -.000321958 25 6 -.000018185 .000154971 .000266921 26 6 -.000315654 .000072951 -.000096188 27 6 .000243179 .000410769 .000017607 28 6 .000198883 -.000340623 .000188369 29 6 -.000248667 -.000482052 .000061168 30 7 -.000203296 .000570051 .000007549 31 6 .000063280 -.000215950 .000062418 32 7 .000022168 .000080833 .000039020 33 6 -.000044140 -.000022019 -.000062358 34 7 .000006872 .000063556 .000062215 35 6 -.000085364 -.000109826 -.000157397 36 7 .000056858 .000023040 .000063856 37 6 -.000011055 .000153279 -.000071085 38 7 .000126846 -.000048418 .000121456 39 6 .000052719 -.000169857 -.000134437 40 8 .000369748 .000018010 -.000069818 41 8 .000013241 .000114803 -.000306480 42 8 -.000217766 .000001211 -.000059870 43 8 -.000143010 -.000006095 -.000170557 44 8 .000033606 .000053258 -.000058583 45 1 .000017179 -.000002263 .000069119 46 1 -.000007516 .000054134 -.000012761 47 1 -.000019850 .000124957 -.000043767 48 1 .000054321 -.000049948 .000004710 49 1 .000033566 .000183320 -.000102607 50 1 .000015638 .000092773 .000074917 51 1 -.000007229 -.000046585 -.000048304 52 1 -.000034513 .000032955 -.000056377 53 1 -.000062242 -.000055750 .000120276 54 1 -.000021048 -.000022354 -.000027999 55 1 .000008445 -.000062554 .000061465 56 1 -.000268781 .000047193 .000064552 57 1 -.000401153 -.000066905 -.000099387 58 1 .000001078 -.000023070 .000004741 59 1 -.000100123 .000057018 .000067863 60 1 .000122897 -.000010947 .000003065 61 1 -.000126918 .000028302 .000039460 62 1 -.000012846 -.000184856 -.000008632 63 1 .000013579 .000077458 .000028550 64 1 .000029171 .000121306 .000059412 65 1 .000015793 -.000001067 .000030261 66 1 -.000001814 -.000004542 -.000014860 67 1 -.000002642 .000006955 -.000001549 68 1 -.000072555 .000014488 .000009098 69 1 -.000097408 -.000018537 .000136692 70 1 .000137269 -.000165614 .000090135 ------------------------------------------------------------------- Cartesian Forces: Max .000917003 RMS .000184128 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000850094 RMS .000116740 Search for a local minimum. Step number 10 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 Trust test= 6.49D-01 RLast= 3.78D-02 DXMaxT set to 5.00D-02 Eigenvalues --- .00203 .00571 .00594 .00748 .00803 Eigenvalues --- .00978 .01016 .01140 .01438 .01475 Eigenvalues --- .01564 .01623 .01808 .01842 .01918 Eigenvalues --- .01983 .02019 .02150 .02176 .02256 Eigenvalues --- .02288 .02301 .02310 .02330 .02384 Eigenvalues --- .02387 .02416 .02465 .02517 .02530 Eigenvalues --- .02554 .02568 .02715 .02736 .02770 Eigenvalues --- .02907 .03026 .03078 .03197 .03315 Eigenvalues --- .03468 .03770 .03863 .03952 .04026 Eigenvalues --- .04261 .04794 .04974 .04993 .05171 Eigenvalues --- .05219 .05430 .05580 .05682 .05726 Eigenvalues --- .05915 .05996 .06028 .06088 .06255 Eigenvalues --- .06315 .06497 .06955 .07056 .07152 Eigenvalues --- .07696 .07855 .08180 .08286 .08485 Eigenvalues --- .08838 .09163 .09929 .10465 .11143 Eigenvalues --- .11484 .11551 .13227 .13414 .14217 Eigenvalues --- .14733 .15646 .15939 .15995 .15999 Eigenvalues --- .15999 .16000 .16000 .16000 .16000 Eigenvalues --- .16000 .16000 .16001 .16024 .16112 Eigenvalues --- .16251 .16389 .16573 .16904 .17054 Eigenvalues --- .17625 .17811 .18364 .19042 .19134 Eigenvalues --- .19996 .20201 .21217 .21827 .22065 Eigenvalues --- .22755 .23148 .23441 .23514 .23620 Eigenvalues --- .23967 .24731 .24926 .24988 .24990 Eigenvalues --- .24993 .24996 .24998 .25048 .25695 Eigenvalues --- .26013 .26632 .27286 .28393 .28533 Eigenvalues --- .28846 .29181 .29701 .30209 .31504 Eigenvalues --- .32780 .34968 .35257 .35494 .35536 Eigenvalues --- .35573 .35665 .35706 .35739 .35754 Eigenvalues --- .35868 .36101 .36298 .36545 .36729 Eigenvalues --- .36898 .36939 .36959 .37161 .37484 Eigenvalues --- .37711 .37939 .39395 .41036 .41418 Eigenvalues --- .42799 .44636 .44812 .44910 .45025 Eigenvalues --- .45084 .45220 .45280 .45983 .46099 Eigenvalues --- .46203 .47139 .48291 .48369 .48569 Eigenvalues --- .48636 .48698 .48879 .49910 .51061 Eigenvalues --- .51122 .51377 .51852 .52784 .53650 Eigenvalues --- .54227 .55458 .55836 .55928 .57342 Eigenvalues --- .57894 .58213 .58475 .58946 .59938 Eigenvalues --- .62813 .68280 .79237 .81151 .85530 Eigenvalues --- .86830 .90271 1.01301 4.548881000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.94074926D-05. Quartic linear search produced a step of -.12010. Iteration 1 RMS(Cart)= .00304534 RMS(Int)= .00000260 Iteration 2 RMS(Cart)= .00000865 RMS(Int)= .00000025 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000025 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01412 .00009 -.00001 .00019 .00018 3.01430 R2 3.04476 -.00020 -.00001 -.00021 -.00022 3.04454 R3 2.82003 -.00018 -.00002 -.00019 -.00021 2.81982 R4 2.80455 -.00005 .00002 -.00001 .00000 2.80455 R5 3.08956 -.00012 -.00003 .00011 .00008 3.08964 R6 3.12292 -.00012 .00001 -.00010 -.00008 3.12284 R7 2.76481 .00011 .00001 .00008 .00009 2.76491 R8 2.78337 .00011 .00000 .00006 .00006 2.78344 R9 2.63215 -.00012 -.00001 -.00001 -.00002 2.63213 R10 2.87792 -.00003 -.00002 -.00021 -.00023 2.87769 R11 2.05241 .00003 .00001 .00005 .00006 2.05247 R12 2.04472 -.00001 .00000 -.00001 -.00001 2.04471 R13 2.89935 .00014 -.00002 .00023 .00021 2.89956 R14 2.72230 .00032 .00004 .00035 .00038 2.72269 R15 2.04836 -.00008 -.00001 -.00012 -.00012 2.04824 R16 2.86957 .00007 .00000 .00014 .00014 2.86972 R17 2.65532 .00004 .00000 .00008 .00008 2.65541 R18 2.04741 .00000 .00000 -.00002 -.00002 2.04739 R19 2.87709 .00015 .00005 .00026 .00031 2.87740 R20 2.59989 -.00002 -.00001 -.00016 -.00017 2.59972 R21 2.01834 .00020 .00002 .00027 .00029 2.01863 R22 2.82686 .00045 .00008 .00083 .00091 2.82776 R23 2.59758 -.00015 -.00007 -.00035 -.00041 2.59717 R24 2.04273 .00000 .00000 .00000 .00000 2.04273 R25 2.53394 -.00009 .00002 -.00002 .00001 2.53395 R26 2.51648 -.00026 -.00006 -.00032 -.00038 2.51610 R27 2.57778 .00000 -.00003 .00004 .00001 2.57779 R28 2.02297 .00004 .00000 .00006 .00006 2.02303 R29 2.62786 .00009 .00002 .00027 .00029 2.62815 R30 2.02614 -.00001 .00000 -.00001 -.00001 2.02613 R31 2.60777 -.00024 -.00005 -.00030 -.00035 2.60742 R32 2.02668 .00003 .00001 .00003 .00004 2.02672 R33 2.84984 -.00018 -.00003 -.00040 -.00043 2.84941 R34 2.60823 .00009 .00005 .00010 .00015 2.60838 R35 2.51883 .00001 .00002 -.00014 -.00012 2.51871 R36 2.28143 .00035 .00001 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.03754 -.00001 -.00007 -.00199 -.00206 .03548 D72 -.06941 .00000 .00000 .00000 .00000 -.06941 D73 3.06844 -.00002 -.00008 .00010 .00001 3.06846 D74 3.10394 -.00005 -.00010 .00129 .00119 3.10513 D75 -.03977 .00006 -.00002 .00281 .00279 -.03697 D76 .07798 -.00006 -.00009 -.00098 -.00107 .07691 D77 -3.06573 .00005 .00000 .00053 .00053 -3.06519 D78 .01272 .00004 .00005 .00012 .00018 .01290 D79 -3.13633 -.00001 -.00004 -.00033 -.00038 -3.13671 D80 -3.12486 .00006 .00014 .00002 .00016 -3.12469 D81 .00927 .00000 .00005 -.00044 -.00039 .00888 D82 .03392 .00000 -.00002 .00077 .00075 .03466 D83 -3.12584 -.00002 .00002 .00022 .00024 -3.12560 D84 -3.10006 .00006 .00008 .00123 .00131 -3.09876 D85 .02336 .00004 .00011 .00068 .00080 .02416 D86 3.12081 -.00006 -.00001 -.00108 -.00109 3.11972 D87 -.02557 -.00007 -.00006 -.00172 -.00178 -.02735 D88 -.00305 -.00004 -.00004 -.00053 -.00058 -.00363 D89 3.13376 -.00005 -.00010 -.00117 -.00127 3.13249 D90 -2.60968 .00001 -.00055 .00246 .00191 -2.60777 D91 .55603 .00001 -.00040 .00227 .00187 .55790 D92 .53692 .00002 -.00050 .00312 .00262 .53955 D93 -2.58055 .00001 -.00035 .00293 .00258 -2.57797 D94 -.02989 .00009 .00011 .00183 .00195 -.02795 D95 3.11397 -.00002 .00002 .00021 .00023 3.11419 D96 3.10669 .00009 .00006 .00117 .00124 3.10792 D97 -.03264 -.00003 -.00003 -.00045 -.00048 -.03312 D98 3.08409 -.00004 .00005 -.00124 -.00119 3.08291 D99 .40898 -.00004 .00008 -.00059 -.00051 .40847 D100 -.08340 -.00003 -.00011 -.00103 -.00114 -.08454 D101 -2.75851 -.00003 -.00008 -.00039 -.00047 -2.75898 D102 1.77868 -.00014 -.00046 -.00120 -.00167 1.77701 D103 -.37577 -.00004 -.00041 -.00052 -.00093 -.37670 D104 -2.43871 .00001 -.00043 -.00029 -.00071 -2.43942 D105 -1.24848 -.00004 .00064 -.00157 -.00094 -1.24942 D106 3.00241 -.00007 .00066 -.00034 .00031 3.00272 D107 .93274 -.00004 .00066 -.00067 -.00001 .93273 D108 .90410 .00002 .00061 -.00136 -.00075 .90335 D109 -1.12820 .00000 .00063 -.00013 .00050 -1.12769 D110 3.08532 .00003 .00064 -.00045 .00018 3.08550 D111 2.97867 -.00001 .00065 -.00188 -.00123 2.97744 D112 .94637 -.00004 .00067 -.00065 .00002 .94640 D113 -1.12329 -.00001 .00068 -.00098 -.00030 -1.12359 D114 -2.66841 .00005 .00008 .00139 .00147 -2.66694 D115 1.56740 .00004 .00011 .00092 .00102 1.56842 D116 -.64098 .00001 .00009 .00071 .00080 -.64018 D117 -.60794 .00002 .00004 -.00024 -.00020 -.60814 D118 -2.65531 .00001 .00007 -.00071 -.00065 -2.65596 D119 1.41949 -.00002 .00005 -.00092 -.00087 1.41862 D120 1.43074 -.00002 .00000 .00004 .00005 1.43079 D121 -.61663 -.00003 .00003 -.00043 -.00040 -.61703 D122 -2.82502 -.00006 .00001 -.00063 -.00062 -2.82564 D123 2.57849 -.00011 -.00003 -.00092 -.00095 2.57754 D124 .39370 .00001 .00003 .00048 .00051 .39420 D125 -1.63791 -.00001 .00005 .00008 .00013 -1.63778 D126 .59493 -.00005 -.00008 .00007 -.00001 .59492 D127 -1.40546 .00004 .00002 .00106 .00108 -1.40438 D128 2.70337 .00001 .00003 .00090 .00093 2.70430 D129 2.72170 .00003 -.00009 .00107 .00098 2.72268 D130 .72131 .00012 .00002 .00205 .00207 .72338 D131 -1.45304 .00008 .00003 .00189 .00192 -1.45113 D132 -1.42827 .00000 -.00005 .00073 .00068 -1.42758 D133 2.85453 .00009 .00006 .00171 .00177 2.85631 D134 .68018 .00005 .00007 .00155 .00162 .68180 D135 -1.27272 -.00010 -.00050 -.00159 -.00209 -1.27481 D136 3.04026 -.00007 -.00048 -.00201 -.00249 3.03778 D137 .92098 -.00006 -.00052 -.00150 -.00201 .91896 D138 1.68571 .00010 .00013 .00089 .00103 1.68674 D139 -.38748 .00002 .00010 .00022 .00032 -.38716 D140 -2.49977 .00006 .00017 .00077 .00094 -2.49883 D141 -2.57011 .00007 .00009 .00022 .00031 -2.56980 D142 1.63989 -.00001 .00005 -.00045 -.00040 1.63949 D143 -.47240 .00003 .00012 .00010 .00022 -.47218 D144 -.43965 .00001 .00006 -.00019 -.00013 -.43979 D145 -2.51284 -.00007 .00003 -.00087 -.00084 -2.51369 D146 1.65806 -.00003 .00009 -.00032 -.00022 1.65783 D147 -.57722 -.00008 -.00055 -.00362 -.00416 -.58138 D148 -2.51815 -.00014 -.00054 -.00332 -.00386 -2.52201 D149 1.62249 -.00005 -.00055 -.00307 -.00362 1.61887 D150 1.43124 -.00003 -.00038 -.00188 -.00226 1.42898 D151 -1.74656 -.00003 -.00038 -.00147 -.00185 -1.74842 D152 -2.79109 -.00006 -.00036 -.00170 -.00206 -2.79315 D153 .31429 -.00005 -.00036 -.00129 -.00165 .31264 D154 -.69935 .00003 -.00036 -.00094 -.00130 -.70065 D155 2.40603 .00004 -.00036 -.00053 -.00089 2.40514 D156 -.00349 -.00003 -.00009 -.00049 -.00058 -.00407 D157 -2.13306 -.00010 -.00013 -.00134 -.00147 -2.13453 D158 2.10212 -.00014 -.00017 -.00205 -.00222 2.09990 D159 -.01186 .00001 -.00002 .00014 .00011 -.01175 D160 3.12177 -.00001 -.00002 .00016 .00013 3.12191 D161 -3.12394 .00000 -.00002 -.00019 -.00021 -3.12415 D162 .00969 -.00001 -.00002 -.00016 -.00019 .00950 D163 -3.11916 -.00004 .00001 -.00079 -.00078 -3.11993 D164 .00929 -.00002 .00006 -.00110 -.00103 .00825 D165 -.00797 -.00003 .00001 -.00043 -.00042 -.00839 D166 3.12048 -.00001 .00006 -.00074 -.00068 3.11980 D167 3.12645 -.00002 .00001 -.00032 -.00031 3.12614 D168 -.00568 -.00001 .00001 -.00034 -.00033 -.00601 D169 -3.13388 .00002 -.00001 .00025 .00024 -3.13364 D170 -.00886 .00004 .00003 .00066 .00069 -.00818 D171 .00004 .00001 -.00001 .00027 .00026 .00029 D172 3.12505 .00003 .00003 .00068 .00071 3.12576 D173 .00359 .00002 .00000 .00030 .00030 .00388 D174 -3.13501 -.00003 -.00002 -.00031 -.00033 -3.13534 D175 .00445 -.00002 -.00001 -.00017 -.00018 .00427 D176 -3.14011 .00003 .00001 .00043 .00044 -3.13967 D177 3.11114 -.00003 -.00001 -.00046 -.00047 3.11067 D178 -.01040 .00002 .00001 .00005 .00007 -.01033 D179 2.87250 .00002 .00027 .00002 .00028 2.87279 D180 .29048 .00003 -.00023 .00020 -.00003 .29045 D181 -.28982 -.00004 .00024 -.00051 -.00027 -.29009 D182 -2.87184 -.00002 -.00026 -.00033 -.00058 -2.87243 D183 .00834 -.00001 .00000 -.00010 -.00011 .00824 D184 -3.11202 -.00004 -.00005 -.00063 -.00068 -3.11271 D185 -3.11250 .00004 .00002 .00043 .00045 -3.11205 D186 .05032 .00001 -.00002 -.00010 -.00013 .05019 D187 .00411 -.00006 -.00002 -.00090 -.00092 .00318 D188 3.12534 -.00003 .00002 -.00039 -.00037 3.12497 D189 .00243 .00005 .00001 .00081 .00082 .00325 D190 -3.12538 .00003 -.00004 .00113 .00109 -3.12429 Item Value Threshold Converged? Maximum Force .000850 .000450 NO RMS Force .000117 .000300 YES Maximum Displacement .022572 .001800 NO RMS Displacement .003042 .001200 NO Predicted change in Energy=-9.901436D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.138871 -.401936 -1.465374 2 8 0 2.537731 -.256149 -2.217891 3 15 0 3.835844 .726656 -2.069173 4 8 0 4.461203 .123456 -.663490 5 6 0 5.629095 -.631239 -.582651 6 6 0 5.443435 -1.759770 .422780 7 6 0 4.424852 -2.844600 .048673 8 6 0 3.150869 -2.240872 .613114 9 6 0 3.671432 -1.644153 1.913659 10 7 0 2.825411 -.486576 2.341956 11 6 0 1.718166 -.765421 3.045016 12 6 0 .865899 .225117 3.436506 13 6 0 1.159920 1.536223 3.077679 14 6 0 2.272131 1.804473 2.306415 15 6 0 2.547349 3.233123 1.910432 16 7 0 3.165479 3.422154 .744818 17 8 0 2.220775 4.112104 2.671087 18 6 0 3.087833 .754217 1.936543 19 8 0 4.960288 -1.231912 1.673297 20 8 0 2.058695 -3.056316 .799641 21 8 0 4.700833 -4.045017 .724958 22 8 0 4.763629 .396496 -3.151274 23 8 0 3.391432 2.090427 -1.734280 24 8 0 .157118 .312112 -2.524590 25 6 0 -1.205233 -.006764 -2.603010 26 6 0 -2.040820 1.060257 -1.912738 27 6 0 -1.985615 1.125856 -.380382 28 6 0 -3.353384 1.727712 -.059417 29 6 0 -4.244415 1.133755 -1.150931 30 7 0 -4.975731 -.056478 -.712669 31 6 0 -6.136323 -.067862 -.000542 32 7 0 -6.840814 .964847 .455258 33 6 0 -7.921984 .579705 1.088128 34 7 0 -8.359227 -.656000 1.312237 35 6 0 -7.635674 -1.669371 .857042 36 7 0 -8.050179 -2.933576 1.109534 37 6 0 -6.459543 -1.398716 .155356 38 7 0 -5.522611 -2.203632 -.457929 39 6 0 -4.676933 -1.373286 -.952916 40 8 0 -3.408039 .765367 -2.196186 41 8 0 -3.320448 3.111163 -.240377 42 8 0 -1.000701 1.946505 .141829 43 8 0 1.145763 .385088 -.197637 44 8 0 .794832 -1.841460 -1.355929 45 1 0 6.439475 .005450 -.239773 46 1 0 5.905930 -1.033514 -1.548204 47 1 0 6.408492 -2.208090 .628874 48 1 0 4.352734 -3.000008 -1.021127 49 1 0 2.910666 -1.412755 -.017445 50 1 0 3.632423 -2.348587 2.732646 51 1 0 1.552478 -1.799034 3.269185 52 1 0 -.011425 -.020160 4.001938 53 1 0 .527038 2.349340 3.375236 54 1 0 3.288561 4.375646 .482062 55 1 0 3.165993 2.764923 -.029471 56 1 0 3.951697 .876094 1.321524 57 1 0 1.438938 -2.832204 .094105 58 1 0 5.396232 -4.507099 .279093 59 1 0 -1.397553 -.983794 -2.178608 60 1 0 -1.476058 -.033579 -3.650721 61 1 0 -1.787838 2.032478 -2.316865 62 1 0 -1.917920 .118692 .026661 63 1 0 -3.709907 1.478510 .933747 64 1 0 -4.976690 1.857020 -1.474846 65 1 0 -8.545499 1.363412 1.480091 66 1 0 -7.643221 -3.668943 .577212 67 1 0 -8.995294 -3.045605 1.398058 68 1 0 -3.812579 -1.643717 -1.518769 69 1 0 -2.446013 3.405033 -.006275 70 1 0 -.138909 1.519301 .021646 --------------------------------------------------------------------- Rotational constants (GHZ): .1245895 .0377022 .0367520 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6571.0915333053 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32027125 A.U. after 9 cycles Convg = .8574D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000104795 .000103477 .000110862 2 8 .000090098 .000070264 .000095102 3 15 -.000108652 -.000105309 -.000110227 4 8 .000101634 .000076639 .000073794 5 6 .000037266 -.000091536 -.000038196 6 6 -.000088093 .000019342 -.000253767 7 6 -.000042283 -.000006073 -.000011566 8 6 -.000131966 -.000155318 -.000019450 9 6 .000402856 -.000024147 -.000049631 10 7 -.000194524 .000240340 .000022771 11 6 .000006578 .000080125 -.000013187 12 6 .000119911 -.000055577 .000009364 13 6 .000184394 .000007517 -.000178113 14 6 -.000545106 .000216625 .000141595 15 6 .000206841 -.000233698 -.000122467 16 7 -.000079923 -.000024784 .000080765 17 8 -.000036513 .000133511 .000118662 18 6 .000222174 -.000241982 .000059251 19 8 -.000255606 -.000167398 .000226203 20 8 .000131082 .000063460 -.000031636 21 8 .000022387 -.000014716 .000017673 22 8 .000029947 -.000001561 -.000046258 23 8 -.000023596 -.000052822 .000010153 24 8 .000131130 -.000312147 -.000314986 25 6 .000064653 .000156536 .000205981 26 6 -.000103537 .000017494 -.000025728 27 6 .000065090 .000156865 .000155577 28 6 .000111665 -.000271551 .000090734 29 6 -.000120397 -.000169977 .000099818 30 7 -.000053949 .000344217 -.000057099 31 6 .000020508 -.000067096 .000037820 32 7 -.000008131 .000039205 .000008567 33 6 .000013938 -.000017747 -.000010807 34 7 .000004215 .000009122 .000012252 35 6 -.000033034 -.000021212 -.000074057 36 7 .000041090 .000019841 .000040704 37 6 .000036925 .000056341 .000001541 38 7 .000028231 -.000029476 -.000008212 39 6 .000014661 -.000136865 -.000042358 40 8 .000103280 .000001054 -.000028880 41 8 -.000010203 .000124785 -.000209201 42 8 -.000130527 .000008548 -.000049619 43 8 -.000094822 .000001987 .000051486 44 8 .000042059 .000018414 -.000073355 45 1 .000023914 -.000017541 .000042504 46 1 .000004185 .000027565 .000004963 47 1 -.000011534 .000057726 -.000025401 48 1 .000023528 -.000008237 .000001737 49 1 .000001919 .000115134 -.000096020 50 1 .000019489 .000067675 .000064270 51 1 -.000012614 -.000030233 -.000040588 52 1 -.000015646 .000014790 -.000023291 53 1 -.000044322 -.000019561 .000073959 54 1 .000013147 -.000008623 -.000045167 55 1 .000052843 .000089746 -.000022004 56 1 -.000090106 .000067893 .000027473 57 1 -.000031126 -.000034877 .000057547 58 1 -.000004343 -.000009379 -.000001173 59 1 -.000033772 .000009813 .000018758 60 1 .000047686 .000012115 .000012776 61 1 -.000084904 -.000007166 .000011078 62 1 -.000007025 -.000071764 -.000070912 63 1 .000048722 .000034346 .000032121 64 1 .000015062 .000051603 -.000025268 65 1 .000007451 -.000000783 .000003633 66 1 -.000003042 -.000005461 -.000012191 67 1 -.000007720 .000003562 -.000003501 68 1 -.000029495 .000009826 .000037658 69 1 -.000065365 -.000007478 .000105617 70 1 .000116112 -.000105409 -.000030453 ------------------------------------------------------------------- Cartesian Forces: Max .000545106 RMS .000105491 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000416901 RMS .000067017 Search for a local minimum. Step number 11 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 Trust test= 1.32D+00 RLast= 1.81D-02 DXMaxT set to 5.43D-02 Eigenvalues --- .00206 .00564 .00575 .00709 .00792 Eigenvalues --- .00891 .01011 .01148 .01390 .01486 Eigenvalues --- .01563 .01623 .01669 .01853 .01935 Eigenvalues --- .02009 .02018 .02081 .02170 .02257 Eigenvalues --- .02277 .02301 .02310 .02328 .02382 Eigenvalues --- .02401 .02418 .02465 .02517 .02520 Eigenvalues --- .02552 .02634 .02709 .02733 .02771 Eigenvalues --- .02890 .02943 .03093 .03137 .03313 Eigenvalues --- .03462 .03750 .03870 .03947 .04030 Eigenvalues --- .04266 .04803 .04983 .04995 .05178 Eigenvalues --- .05198 .05401 .05567 .05685 .05754 Eigenvalues --- .05883 .06004 .06047 .06183 .06249 Eigenvalues --- .06306 .06541 .06948 .07059 .07296 Eigenvalues --- .07722 .07775 .08154 .08353 .08390 Eigenvalues --- .08838 .09270 .09942 .10495 .11117 Eigenvalues --- .11493 .11567 .13327 .13538 .14183 Eigenvalues --- .14742 .15603 .15879 .15956 .15996 Eigenvalues --- .15999 .15999 .16000 .16000 .16000 Eigenvalues --- .16000 .16000 .16009 .16013 .16103 Eigenvalues --- .16250 .16375 .16530 .16857 .17066 Eigenvalues --- .17580 .17745 .18370 .18993 .19530 Eigenvalues --- .19806 .20313 .21569 .21835 .22050 Eigenvalues --- .22849 .23147 .23473 .23622 .23672 Eigenvalues --- .23933 .24250 .24770 .24939 .24990 Eigenvalues --- .24993 .24996 .24998 .25037 .25557 Eigenvalues --- .25885 .26801 .27173 .28374 .28551 Eigenvalues --- .28826 .29221 .29809 .30178 .31530 Eigenvalues --- .32085 .34938 .35252 .35495 .35551 Eigenvalues --- .35575 .35662 .35704 .35740 .35755 Eigenvalues --- .35874 .36095 .36353 .36545 .36714 Eigenvalues --- .36898 .36959 .37152 .37404 .37567 Eigenvalues --- .37765 .39173 .39406 .40956 .41235 Eigenvalues --- .42771 .44687 .44812 .44902 .44970 Eigenvalues --- .45121 .45228 .45329 .45907 .46013 Eigenvalues --- .46261 .47872 .48296 .48354 .48629 Eigenvalues --- .48694 .48823 .49192 .49908 .50744 Eigenvalues --- .51142 .51386 .52223 .52700 .54079 Eigenvalues --- .54365 .55598 .55834 .57331 .57750 Eigenvalues --- .57908 .58475 .58670 .59924 .62705 Eigenvalues --- .65473 .68438 .79309 .81370 .85667 Eigenvalues --- .87911 .90258 1.00877 4.672231000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.42094631D-05. Quartic linear search produced a step of .46960. Maximum step size ( .054) exceeded in Quadratic search. -- Step size scaled by .671 Iteration 1 RMS(Cart)= .03219304 RMS(Int)= .00010406 Iteration 2 RMS(Cart)= .00032670 RMS(Int)= .00000942 Iteration 3 RMS(Cart)= .00000003 RMS(Int)= .00000942 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01430 -.00002 .00008 .00020 .00029 3.01459 R2 3.04454 -.00007 -.00010 -.00004 -.00016 3.04437 R3 2.81982 .00000 -.00010 .00024 .00016 2.81998 R4 2.80455 -.00005 .00000 -.00030 -.00029 2.80426 R5 3.08964 -.00011 .00004 .00042 .00046 3.09010 R6 3.12284 .00002 -.00004 -.00018 -.00022 3.12262 R7 2.76491 .00005 .00004 -.00001 .00003 2.76494 R8 2.78344 -.00004 .00003 .00004 .00007 2.78351 R9 2.63213 -.00011 -.00001 .00005 .00004 2.63217 R10 2.87769 -.00008 -.00011 -.00013 -.00024 2.87745 R11 2.05247 .00002 .00003 .00000 .00003 2.05249 R12 2.04471 -.00001 -.00001 -.00001 -.00001 2.04470 R13 2.89956 -.00005 .00010 .00021 .00031 2.89987 R14 2.72269 .00027 .00018 .00002 .00020 2.72289 R15 2.04824 -.00004 -.00006 -.00006 -.00012 2.04812 R16 2.86972 -.00001 .00007 -.00001 .00006 2.86978 R17 2.65541 .00003 .00004 .00012 .00016 2.65556 R18 2.04739 .00000 -.00001 -.00004 -.00005 2.04734 R19 2.87740 .00012 .00015 -.00017 -.00002 2.87738 R20 2.59972 -.00009 -.00008 -.00014 -.00021 2.59951 R21 2.01863 .00015 .00014 .00018 .00032 2.01895 R22 2.82776 .00033 .00043 .00002 .00044 2.82821 R23 2.59717 -.00019 -.00019 .00009 -.00011 2.59706 R24 2.04273 .00000 .00000 .00002 .00002 2.04275 R25 2.53395 -.00008 .00000 -.00044 -.00044 2.53351 R26 2.51610 -.00003 -.00018 .00045 .00027 2.51637 R27 2.57779 -.00011 .00001 .00024 .00025 2.57804 R28 2.02303 .00002 .00003 .00005 .00008 2.02311 R29 2.62815 -.00005 .00014 -.00010 .00004 2.62818 R30 2.02613 .00000 -.00001 .00000 .00000 2.02613 R31 2.60742 -.00021 -.00016 .00016 .00000 2.60742 R32 2.02672 .00003 .00002 .00000 .00002 2.02674 R33 2.84941 -.00001 -.00020 .00002 -.00019 2.84922 R34 2.60838 .00029 .00007 -.00023 -.00016 2.60822 R35 2.51871 -.00001 -.00006 -.00030 -.00036 2.51835 R36 2.28169 .00018 .00012 .00017 .00029 2.28197 R37 1.88342 .00001 -.00003 -.00006 -.00008 1.88334 R38 1.91924 -.00004 -.00002 -.00012 -.00013 1.91910 R39 2.01711 -.00008 -.00018 -.00012 -.00030 2.01681 R40 1.82445 -.00005 .00027 .00039 .00066 1.82510 R41 1.78866 .00000 .00001 .00000 .00001 1.78867 R42 2.64820 -.00004 .00008 .00014 .00020 2.64840 R43 2.87413 .00007 .00009 -.00002 .00005 2.87418 R44 2.04553 .00001 -.00001 .00031 .00030 2.04583 R45 2.04559 -.00002 -.00002 -.00006 -.00008 2.04551 R46 2.90026 .00002 .00005 -.00018 -.00014 2.90013 R47 2.69681 -.00006 -.00012 -.00013 -.00025 2.69656 R48 2.04626 -.00003 -.00001 -.00004 -.00004 2.04622 R49 2.88828 -.00007 -.00011 -.00014 -.00024 2.88804 R50 2.61591 -.00011 -.00013 -.00041 -.00054 2.61537 R51 2.05681 .00004 .00020 .00027 .00047 2.05727 R52 2.88956 .00000 .00008 .00028 .00037 2.88993 R53 2.63735 .00013 .00009 -.00021 -.00012 2.63723 R54 2.04892 .00001 .00000 .00005 .00005 2.04897 R55 2.76673 -.00020 -.00021 -.00008 -.00029 2.76643 R56 2.62379 .00005 .00012 -.00003 .00010 2.62389 R57 2.03903 .00003 .00003 .00001 .00005 2.03908 R58 2.57324 -.00004 -.00002 -.00004 -.00006 2.57318 R59 2.59174 .00012 .00008 -.00008 .00000 2.59174 R60 2.51451 .00002 .00004 -.00007 -.00003 2.51447 R61 2.60477 -.00002 -.00006 .00006 .00000 2.60477 R62 2.47676 -.00002 .00002 .00001 .00003 2.47679 R63 2.51296 -.00001 .00000 .00002 .00002 2.51298 R64 2.03232 .00000 .00001 -.00002 -.00001 2.03230 R65 2.50533 .00000 .00005 -.00008 -.00003 2.50530 R66 2.55901 -.00002 -.00003 .00056 .00052 2.55954 R67 2.63811 -.00002 .00002 -.00008 -.00005 2.63806 R68 1.88001 .00001 .00000 .00012 .00012 1.88013 R69 1.87934 .00001 .00000 .00012 .00012 1.87946 R70 2.60608 .00001 .00003 .00007 .00011 2.60619 R71 2.42715 -.00004 -.00001 .00002 .00001 2.42715 R72 2.01806 -.00005 -.00003 .00000 -.00004 2.01802 R73 1.79852 -.00004 -.00003 .00003 .00000 1.79852 R74 1.83180 .00007 .00005 -.00015 -.00007 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3.12614 .00000 -.00015 -.00010 -.00025 3.12589 D168 -.00601 .00000 -.00016 -.00034 -.00050 -.00651 D169 -3.13364 .00000 .00011 .00022 .00033 -3.13330 D170 -.00818 .00001 .00032 .00000 .00033 -.00785 D171 .00029 .00000 .00012 .00041 .00054 .00083 D172 3.12576 .00001 .00033 .00020 .00053 3.12629 D173 .00388 .00000 .00014 .00004 .00018 .00407 D174 -3.13534 -.00001 -.00015 .00007 -.00008 -3.13542 D175 .00427 .00000 -.00008 .00016 .00007 .00434 D176 -3.13967 .00000 .00021 .00013 .00033 -3.13934 D177 3.11067 -.00002 -.00022 -.00060 -.00082 3.10985 D178 -.01033 .00001 .00003 -.00007 -.00004 -.01037 D179 2.87279 .00000 .00013 -.00362 -.00349 2.86930 D180 .29045 .00002 -.00001 .00361 .00359 .29404 D181 -.29009 -.00002 -.00013 -.00417 -.00430 -.29438 D182 -2.87243 -.00001 -.00027 .00306 .00278 -2.86964 D183 .00824 -.00001 -.00005 -.00018 -.00023 .00801 D184 -3.11271 -.00001 -.00032 .00010 -.00022 -3.11293 D185 -3.11205 .00002 .00021 .00037 .00058 -3.11147 D186 .05019 .00001 -.00006 .00065 .00059 .05078 D187 .00318 .00000 -.00043 .00006 -.00037 .00281 D188 3.12497 .00000 -.00017 -.00021 -.00038 3.12459 D189 .00325 .00000 .00038 -.00010 .00028 .00353 D190 -3.12429 -.00001 .00051 .00075 .00126 -3.12303 Item Value Threshold Converged? Maximum Force .000417 .000450 YES RMS Force .000067 .000300 YES Maximum Displacement .123343 .001800 NO RMS Displacement .032292 .001200 NO Predicted change in Energy=-1.225990D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.151454 -.400674 -1.480193 2 8 0 2.553033 -.215426 -2.219171 3 15 0 3.830132 .790461 -2.042753 4 8 0 4.458834 .172591 -.645091 5 6 0 5.637830 -.565492 -.572041 6 6 0 5.464300 -1.717317 .408646 7 6 0 4.467304 -2.811971 .005453 8 6 0 3.179475 -2.243015 .574656 9 6 0 3.681447 -1.663416 1.890152 10 7 0 2.811132 -.530231 2.335488 11 6 0 1.703717 -.841715 3.023979 12 6 0 .832293 .126418 3.429553 13 6 0 1.106987 1.449575 3.100836 14 6 0 2.219882 1.752019 2.343335 15 6 0 2.477100 3.192237 1.978775 16 7 0 3.097104 3.414660 .820287 17 8 0 2.134415 4.050349 2.756228 18 6 0 3.055573 .723241 1.958353 19 8 0 4.963995 -1.223307 1.666349 20 8 0 2.100911 -3.080933 .738568 21 8 0 4.760936 -4.021301 .658189 22 8 0 4.771110 .500156 -3.124911 23 8 0 3.355828 2.137943 -1.683637 24 8 0 .166466 .318875 -2.532529 25 6 0 -1.195994 -.001305 -2.605390 26 6 0 -2.031022 1.064116 -1.911922 27 6 0 -1.976275 1.123287 -.379361 28 6 0 -3.343915 1.723891 -.056110 29 6 0 -4.234920 1.134692 -1.150491 30 7 0 -4.967835 -.056385 -.717745 31 6 0 -6.129579 -.070408 -.007604 32 7 0 -6.835072 .960634 .450366 33 6 0 -7.917366 .573189 1.079938 34 7 0 -8.354666 -.663379 1.299192 35 6 0 -7.629958 -1.675088 .842189 36 7 0 -8.044227 -2.940453 1.090712 37 6 0 -6.452573 -1.401849 .143671 38 7 0 -5.514079 -2.204608 -.470183 39 6 0 -4.668055 -1.372351 -.961368 40 8 0 -3.398020 .770173 -2.196750 41 8 0 -3.310790 3.107952 -.231808 42 8 0 -.990996 1.940345 .147024 43 8 0 1.136070 .359510 -.196158 44 8 0 .831480 -1.847653 -1.402872 45 1 0 6.435638 .076754 -.210505 46 1 0 5.927200 -.943005 -1.543890 47 1 0 6.435603 -2.152992 .612174 48 1 0 4.404417 -2.946248 -1.067758 49 1 0 2.928522 -1.406030 -.040094 50 1 0 3.650134 -2.384601 2.694780 51 1 0 1.553500 -1.882385 3.225451 52 1 0 -.045044 -.145147 3.982820 53 1 0 .458629 2.245576 3.411123 54 1 0 3.207360 4.375015 .577775 55 1 0 3.112362 2.773482 .032892 56 1 0 3.921168 .872146 1.352060 57 1 0 1.481016 -2.855409 .033128 58 1 0 5.466657 -4.461792 .206714 59 1 0 -1.385925 -.978475 -2.179829 60 1 0 -1.471052 -.029329 -3.651923 61 1 0 -1.777546 2.037693 -2.312399 62 1 0 -1.909512 .113852 .022843 63 1 0 -3.701242 1.471136 .935895 64 1 0 -4.966279 1.860357 -1.471180 65 1 0 -8.541719 1.355434 1.473468 66 1 0 -7.637706 -3.673108 .554215 67 1 0 -8.990779 -3.052866 1.374549 68 1 0 -3.803169 -1.640725 -1.527351 69 1 0 -2.436550 3.401103 .003912 70 1 0 -.129624 1.514486 .019554 --------------------------------------------------------------------- Rotational constants (GHZ): .1249437 .0377475 .0368406 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6574.3160822599 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32028066 A.U. after 11 cycles Convg = .3809D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000122431 .000016028 .000066251 2 8 .000040954 .000134591 .000055761 3 15 -.000159473 -.000318169 -.000050112 4 8 .000056829 .000031788 .000131618 5 6 .000008048 .000050729 -.000052982 6 6 -.000133947 -.000013095 -.000249162 7 6 .000000390 -.000059725 .000149680 8 6 -.000057357 .000097883 -.000119213 9 6 .000196039 -.000146085 -.000022172 10 7 .000142718 .000595339 .000016092 11 6 -.000057464 -.000069802 .000034109 12 6 .000132379 -.000007870 -.000007652 13 6 .000123937 .000012099 -.000203605 14 6 -.000160250 .000052299 .000094699 15 6 -.000290694 .000063343 .000272114 16 7 -.000002309 -.000049538 -.000012700 17 8 .000069316 -.000008988 -.000021110 18 6 .000052949 -.000433315 -.000026847 19 8 -.000296920 -.000189029 .000207281 20 8 -.000133699 -.000010244 -.000256091 21 8 .000011498 -.000000071 .000011929 22 8 -.000024162 .000084090 -.000042134 23 8 -.000028867 -.000063002 -.000066429 24 8 .000002025 -.000158912 -.000291317 25 6 .000104162 .000086465 .000230196 26 6 .000022853 -.000026469 .000029694 27 6 -.000055870 -.000143715 .000304047 28 6 .000056377 -.000227289 .000012035 29 6 -.000070803 .000103842 .000219185 30 7 .000105173 .000152721 -.000127366 31 6 .000021833 .000048748 .000044013 32 7 -.000041802 .000007370 -.000010533 33 6 .000045684 -.000018434 .000004483 34 7 -.000000007 -.000025753 -.000011895 35 6 .000011899 .000005606 .000023198 36 7 -.000004125 .000051337 -.000057405 37 6 .000044269 -.000028509 .000027080 38 7 -.000027654 .000017828 -.000055472 39 6 -.000055465 -.000156348 -.000040877 40 8 -.000091917 -.000032903 -.000032471 41 8 -.000025246 .000208635 -.000214026 42 8 -.000073265 .000278417 -.000228049 43 8 -.000051046 .000076071 -.000094748 44 8 .000004517 -.000010811 -.000068829 45 1 .000030199 -.000030284 .000012590 46 1 .000016743 .000011171 .000013977 47 1 .000001807 -.000002276 .000013969 48 1 -.000002746 .000026053 -.000007191 49 1 -.000017523 -.000019153 -.000046843 50 1 .000015549 .000068087 .000073055 51 1 -.000015052 -.000011000 -.000049898 52 1 -.000000567 .000004024 .000007916 53 1 -.000035993 -.000005126 .000029873 54 1 .000036842 .000035523 -.000014732 55 1 .000069423 .000056956 -.000040767 56 1 .000059380 .000097456 .000007068 57 1 .000320760 .000018686 .000246673 58 1 -.000008971 .000005043 -.000005588 59 1 -.000028590 -.000015972 -.000059702 60 1 .000051302 .000043308 -.000003642 61 1 -.000095985 -.000014925 -.000035393 62 1 .000017915 .000096085 -.000104064 63 1 .000107502 -.000014143 .000035436 64 1 .000025318 .000004061 -.000108399 65 1 .000004203 .000000980 -.000008664 66 1 .000012364 -.000004258 .000015057 67 1 .000003719 .000001775 .000019722 68 1 .000012616 .000014649 .000068865 69 1 -.000052727 -.000013275 .000120764 70 1 -.000061427 -.000330597 .000249651 ------------------------------------------------------------------- Cartesian Forces: Max .000595339 RMS .000114981 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000673707 RMS .000111526 Search for a local minimum. Step number 12 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 Trust test= 7.67D-01 RLast= 5.58D-02 DXMaxT set to 7.68D-02 Eigenvalues --- .00075 .00548 .00571 .00790 .00841 Eigenvalues --- .00929 .01117 .01270 .01385 .01504 Eigenvalues --- .01564 .01623 .01638 .01850 .01953 Eigenvalues --- .02009 .02062 .02170 .02257 .02273 Eigenvalues --- .02300 .02310 .02317 .02353 .02384 Eigenvalues --- .02402 .02420 .02470 .02516 .02517 Eigenvalues --- .02553 .02641 .02718 .02742 .02772 Eigenvalues --- .02897 .02937 .03092 .03293 .03464 Eigenvalues --- .03546 .03777 .03942 .03958 .04032 Eigenvalues --- .04379 .04807 .04979 .04989 .05175 Eigenvalues --- .05201 .05562 .05664 .05751 .05776 Eigenvalues --- .05954 .06007 .06143 .06161 .06271 Eigenvalues --- .06428 .06523 .06918 .07062 .07371 Eigenvalues --- .07741 .07778 .08148 .08340 .08702 Eigenvalues --- .08873 .09365 .09934 .10603 .11104 Eigenvalues --- .11504 .11587 .13360 .13545 .14158 Eigenvalues --- .14744 .15680 .15881 .15985 .15998 Eigenvalues --- .15999 .16000 .16000 .16000 .16000 Eigenvalues --- .16000 .16007 .16012 .16096 .16241 Eigenvalues --- .16369 .16492 .16545 .16980 .17090 Eigenvalues --- .17626 .17768 .18464 .18966 .19679 Eigenvalues --- .19778 .20390 .21426 .21961 .22050 Eigenvalues --- .23058 .23148 .23471 .23626 .23644 Eigenvalues --- .23915 .24404 .24926 .24990 .24993 Eigenvalues --- .24996 .24998 .25026 .25404 .25832 Eigenvalues --- .26019 .27107 .28302 .28396 .28566 Eigenvalues --- .29104 .29288 .30093 .30445 .31581 Eigenvalues --- .31962 .35054 .35251 .35495 .35552 Eigenvalues --- .35580 .35661 .35703 .35741 .35755 Eigenvalues --- .35875 .36093 .36364 .36545 .36693 Eigenvalues --- .36899 .36959 .37154 .37410 .37553 Eigenvalues --- .37802 .39357 .39972 .40754 .41194 Eigenvalues --- .42891 .44671 .44810 .44899 .44973 Eigenvalues --- .45114 .45232 .45364 .45954 .46121 Eigenvalues --- .46279 .47927 .48298 .48379 .48631 Eigenvalues --- .48695 .48857 .49323 .49914 .50608 Eigenvalues --- .51143 .51316 .52214 .52698 .54164 Eigenvalues --- .54629 .55733 .55835 .57332 .57892 Eigenvalues --- .58148 .58476 .58738 .59922 .62758 Eigenvalues --- .67939 .69701 .79745 .81503 .86911 Eigenvalues --- .88260 .90261 1.01059 4.614421000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-3.43235857D-05. Quartic linear search produced a step of -.02355. Maximum step size ( .077) exceeded in Quadratic search. -- Step size scaled by .443 Iteration 1 RMS(Cart)= .04114920 RMS(Int)= .00015122 Iteration 2 RMS(Cart)= .00044696 RMS(Int)= .00001002 Iteration 3 RMS(Cart)= .00000003 RMS(Int)= .00001002 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01459 -.00007 -.00001 .00027 .00026 3.01485 R2 3.04437 -.00004 .00000 -.00003 -.00004 3.04433 R3 2.81998 -.00003 .00000 .00023 .00024 2.82021 R4 2.80426 .00001 .00001 -.00034 -.00034 2.80392 R5 3.09010 -.00014 -.00001 .00049 .00048 3.09058 R6 3.12262 .00014 .00001 -.00019 -.00019 3.12243 R7 2.76494 .00000 .00000 -.00004 -.00004 2.76490 R8 2.78351 -.00006 .00000 .00008 .00008 2.78359 R9 2.63217 -.00002 .00000 .00017 .00017 2.63234 R10 2.87745 -.00004 .00001 .00004 .00005 2.87750 R11 2.05249 .00001 .00000 -.00002 -.00002 2.05248 R12 2.04470 -.00001 .00000 .00000 .00000 2.04470 R13 2.89987 -.00022 -.00001 .00017 .00016 2.90003 R14 2.72289 .00017 .00000 -.00007 -.00007 2.72282 R15 2.04812 .00001 .00000 -.00003 -.00002 2.04810 R16 2.86978 -.00006 .00000 -.00009 -.00009 2.86969 R17 2.65556 .00000 .00000 .00010 .00010 2.65566 R18 2.04734 .00000 .00000 -.00004 -.00004 2.04730 R19 2.87738 .00015 .00000 -.00019 -.00019 2.87718 R20 2.59951 -.00016 .00001 -.00014 -.00013 2.59937 R21 2.01895 .00002 -.00001 .00004 .00004 2.01899 R22 2.82821 .00021 -.00001 -.00014 -.00015 2.82806 R23 2.59706 -.00034 .00000 .00015 .00015 2.59721 R24 2.04275 .00001 .00000 .00003 .00003 2.04278 R25 2.53351 .00000 .00001 -.00047 -.00046 2.53305 R26 2.51637 -.00007 -.00001 .00047 .00046 2.51683 R27 2.57804 -.00018 -.00001 .00032 .00031 2.57835 R28 2.02311 .00000 .00000 .00004 .00004 2.02315 R29 2.62818 -.00014 .00000 -.00014 -.00014 2.62805 R30 2.02613 .00000 .00000 .00001 .00001 2.02614 R31 2.60742 -.00020 .00000 .00026 .00026 2.60768 R32 2.02674 .00003 .00000 -.00002 -.00002 2.02672 R33 2.84922 .00002 .00000 -.00003 -.00003 2.84919 R34 2.60822 .00036 .00000 -.00037 -.00037 2.60785 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3.12578 D168 -.00651 .00001 .00001 -.00038 -.00037 -.00688 D169 -3.13330 -.00001 -.00001 .00017 .00016 -3.13314 D170 -.00785 -.00001 -.00001 -.00013 -.00014 -.00798 D171 .00083 .00000 -.00001 .00039 .00037 .00120 D172 3.12629 -.00001 -.00001 .00009 .00008 3.12637 D173 .00407 -.00001 .00000 .00008 .00008 .00414 D174 -3.13542 .00000 .00000 .00016 .00016 -3.13526 D175 .00434 .00000 .00000 .00020 .00020 .00454 D176 -3.13934 -.00001 -.00001 .00012 .00011 -3.13922 D177 3.10985 .00000 .00002 -.00043 -.00041 3.10944 D178 -.01037 .00000 .00000 -.00020 -.00019 -.01057 D179 2.86930 .00001 .00008 -.00441 -.00433 2.86497 D180 .29404 -.00002 -.00008 .00400 .00391 .29795 D181 -.29438 .00002 .00010 -.00466 -.00455 -.29894 D182 -2.86964 -.00002 -.00007 .00375 .00368 -2.86596 D183 .00801 .00000 .00001 -.00007 -.00006 .00795 D184 -3.11293 .00001 .00001 .00031 .00032 -3.11261 D185 -3.11147 .00000 -.00001 .00018 .00017 -3.11130 D186 .05078 .00001 -.00001 .00056 .00054 .05133 D187 .00281 .00002 .00001 .00012 .00013 .00294 D188 3.12459 .00001 .00001 -.00024 -.00024 3.12435 D189 .00353 -.00002 -.00001 -.00006 -.00007 .00346 D190 -3.12303 -.00005 -.00003 .00081 .00078 -3.12226 Item Value Threshold Converged? Maximum Force .000674 .000450 NO RMS Force .000112 .000300 YES Maximum Displacement .152081 .001800 NO RMS Displacement .041110 .001200 NO Predicted change in Energy=-1.196478D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.164477 -.423542 -1.484853 2 8 0 2.563552 -.201701 -2.218782 3 15 0 3.813969 .835963 -2.033172 4 8 0 4.457925 .224256 -.639868 5 6 0 5.652671 -.488785 -.572554 6 6 0 5.504942 -1.652817 .397932 7 6 0 4.533453 -2.766570 -.015412 8 6 0 3.232993 -2.232620 .558839 9 6 0 3.721358 -1.653383 1.879488 10 7 0 2.824902 -.544664 2.334193 11 6 0 1.725226 -.886361 3.020277 12 6 0 .832161 .058726 3.433612 13 6 0 1.076771 1.390309 3.115638 14 6 0 2.182481 1.723768 2.360388 15 6 0 2.408355 3.172171 2.007743 16 7 0 3.019640 3.417889 .849521 17 8 0 2.050012 4.015979 2.793850 18 6 0 3.040747 .717248 1.967028 19 8 0 4.993233 -1.181239 1.659607 20 8 0 2.173629 -3.095985 .715134 21 8 0 4.855101 -3.974758 .626254 22 8 0 4.762973 .578794 -3.116675 23 8 0 3.303930 2.167565 -1.663766 24 8 0 .168143 .282876 -2.535370 25 6 0 -1.193846 -.043316 -2.591098 26 6 0 -2.027975 1.030131 -1.908956 27 6 0 -1.980288 1.101017 -.376620 28 6 0 -3.346004 1.711896 -.065241 29 6 0 -4.234805 1.116072 -1.158046 30 7 0 -4.974839 -.067740 -.717546 31 6 0 -6.141341 -.070735 -.015138 32 7 0 -6.847126 .967184 .426412 33 6 0 -7.934733 .589731 1.052911 34 7 0 -8.376767 -.643183 1.283074 35 6 0 -7.651578 -1.661827 .842700 36 7 0 -8.070833 -2.923517 1.103175 37 6 0 -6.468772 -1.399585 .149229 38 7 0 -5.528282 -2.211651 -.449224 39 6 0 -4.676880 -1.387090 -.944124 40 8 0 -3.394690 .738173 -2.196923 41 8 0 -3.305062 3.093904 -.253993 42 8 0 -.992629 1.915157 .149111 43 8 0 1.129250 .326416 -.195064 44 8 0 .876708 -1.877642 -1.418783 45 1 0 6.435952 .167820 -.205124 46 1 0 5.950553 -.851185 -1.547581 47 1 0 6.485856 -2.068029 .598042 48 1 0 4.473621 -2.892435 -1.089794 49 1 0 2.963395 -1.395643 -.048012 50 1 0 3.706894 -2.382215 2.677698 51 1 0 1.598623 -1.931674 3.213889 52 1 0 -.038592 -.237098 3.984845 53 1 0 .410809 2.169035 3.432379 54 1 0 3.108901 4.382377 .615025 55 1 0 3.048219 2.783584 .056987 56 1 0 3.902281 .890234 1.361409 57 1 0 1.549873 -2.880541 .009645 58 1 0 5.570274 -4.395007 .170378 59 1 0 -1.377584 -1.014479 -2.148905 60 1 0 -1.477187 -.089373 -3.634754 61 1 0 -1.769842 1.999498 -2.316590 62 1 0 -1.922226 .094229 .033778 63 1 0 -3.709525 1.470443 .927359 64 1 0 -4.961655 1.841881 -1.488500 65 1 0 -8.559705 1.377977 1.433242 66 1 0 -7.664548 -3.662143 .574611 67 1 0 -9.020733 -3.029254 1.378526 68 1 0 -3.809320 -1.664106 -1.501815 69 1 0 -2.429942 3.384922 -.018801 70 1 0 -.134199 1.482407 .025767 --------------------------------------------------------------------- Rotational constants (GHZ): .1256267 .0375980 .0367618 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6573.2507626528 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32028556 A.U. after 11 cycles Convg = .8531D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000194898 .000208664 .000121034 2 8 .000113119 .000177036 .000103000 3 15 -.000316005 -.000342568 -.000127700 4 8 .000059730 -.000081658 .000217640 5 6 .000037483 .000113864 -.000103923 6 6 -.000159284 -.000022579 -.000318730 7 6 .000032822 -.000074867 .000214715 8 6 -.000070122 .000182623 -.000143812 9 6 .000204940 -.000190913 -.000025597 10 7 .000217340 .000869063 -.000038439 11 6 -.000126009 -.000145680 .000094908 12 6 .000140334 -.000014455 -.000014101 13 6 .000171926 .000024991 -.000239137 14 6 -.000145234 .000019255 .000065433 15 6 -.000452673 .000228470 .000404918 16 7 .000033765 -.000075495 -.000011114 17 8 .000082686 -.000086094 -.000060551 18 6 .000066222 -.000595557 -.000024001 19 8 -.000370378 -.000281609 .000258539 20 8 -.000218557 -.000055884 -.000411330 21 8 -.000001897 .000026324 .000004826 22 8 -.000015566 .000093395 -.000059140 23 8 .000045603 -.000113900 -.000110406 24 8 -.000152220 -.000225981 -.000141806 25 6 .000233937 .000098286 .000028327 26 6 .000140198 -.000016023 .000057847 27 6 -.000237525 -.000100957 .000380046 28 6 -.000030509 -.000385216 .000029080 29 6 -.000082771 .000270658 .000272704 30 7 .000174964 .000140832 -.000146902 31 6 .000043587 .000083257 .000087422 32 7 -.000058684 .000003915 -.000015943 33 6 .000056615 -.000022269 -.000006906 34 7 .000008921 -.000036149 -.000002852 35 6 -.000002335 -.000023879 .000043715 36 7 -.000032920 .000091547 -.000148148 37 6 .000044985 -.000052211 .000010312 38 7 -.000018979 .000033386 -.000045557 39 6 -.000114622 -.000196564 -.000068673 40 8 -.000193064 -.000129581 -.000009311 41 8 .000016680 .000221038 -.000271734 42 8 -.000061843 .000060295 -.000161924 43 8 -.000229243 .000014397 .000081951 44 8 -.000014635 -.000078153 -.000091392 45 1 .000037396 -.000040904 .000012034 46 1 .000022891 .000008593 .000022229 47 1 .000011463 .000003263 .000013805 48 1 -.000010801 .000032481 -.000015208 49 1 -.000084774 -.000016313 -.000109010 50 1 .000017831 .000092175 .000089500 51 1 -.000017581 -.000006277 -.000065135 52 1 .000002281 .000003799 .000015172 53 1 -.000043030 .000005585 .000037608 54 1 .000046532 .000054586 -.000009693 55 1 .000077909 .000043766 -.000065809 56 1 .000089310 .000141570 .000012051 57 1 .000408351 .000058268 .000397933 58 1 -.000010546 .000008360 -.000006537 59 1 .000033279 -.000046370 -.000052561 60 1 -.000005473 .000070729 .000003046 61 1 -.000053896 -.000049664 -.000013401 62 1 -.000000837 .000074896 -.000194878 63 1 .000159164 -.000009021 .000052841 64 1 .000021686 -.000017892 -.000160490 65 1 .000008032 .000001547 -.000007631 66 1 .000031859 -.000001420 .000045824 67 1 .000020603 .000005429 .000049297 68 1 .000025275 .000026504 .000084036 69 1 -.000069064 .000004168 .000172422 70 1 .000266459 -.000060911 .000015263 ------------------------------------------------------------------- Cartesian Forces: Max .000869063 RMS .000153709 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000951800 RMS .000134445 Search for a local minimum. Step number 13 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 Trust test= 4.10D-01 RLast= 7.56D-02 DXMaxT set to 7.68D-02 Eigenvalues --- .00117 .00529 .00573 .00787 .00832 Eigenvalues --- .00916 .01115 .01243 .01361 .01500 Eigenvalues --- .01554 .01592 .01625 .01852 .01955 Eigenvalues --- .02020 .02061 .02169 .02257 .02274 Eigenvalues --- .02300 .02310 .02330 .02356 .02385 Eigenvalues --- .02402 .02420 .02470 .02514 .02517 Eigenvalues --- .02554 .02648 .02716 .02741 .02772 Eigenvalues --- .02889 .02930 .03093 .03304 .03495 Eigenvalues --- .03536 .03787 .03942 .03989 .04035 Eigenvalues --- .04373 .04808 .04976 .05004 .05183 Eigenvalues --- .05216 .05567 .05667 .05750 .05807 Eigenvalues --- .05965 .06007 .06121 .06210 .06285 Eigenvalues --- .06497 .06591 .06913 .07072 .07455 Eigenvalues --- .07773 .07846 .08144 .08363 .08843 Eigenvalues --- .08865 .09477 .10011 .10585 .11115 Eigenvalues --- .11511 .11587 .13368 .13562 .14191 Eigenvalues --- .14744 .15651 .15851 .15997 .15999 Eigenvalues --- .15999 .16000 .16000 .16000 .16000 Eigenvalues --- .16002 .16011 .16028 .16122 .16249 Eigenvalues --- .16378 .16501 .16843 .17066 .17599 Eigenvalues --- .17756 .18081 .18452 .19041 .19717 Eigenvalues --- .19753 .20453 .21428 .21979 .22057 Eigenvalues --- .23068 .23152 .23475 .23623 .23693 Eigenvalues --- .23880 .24492 .24949 .24990 .24994 Eigenvalues --- .24996 .24998 .25387 .25464 .25911 Eigenvalues --- .26303 .27043 .28264 .28558 .28575 Eigenvalues --- .29194 .29924 .30163 .30380 .31563 Eigenvalues --- .31908 .35049 .35252 .35495 .35555 Eigenvalues --- .35582 .35665 .35703 .35739 .35756 Eigenvalues --- .35875 .36093 .36351 .36545 .36829 Eigenvalues --- .36899 .36959 .37156 .37389 .37540 Eigenvalues --- .37812 .39405 .40266 .41034 .41190 Eigenvalues --- .42958 .44713 .44837 .44897 .44973 Eigenvalues --- .45226 .45312 .45540 .45919 .46060 Eigenvalues --- .46279 .48003 .48302 .48619 .48630 Eigenvalues --- .48695 .48872 .49368 .49900 .50943 Eigenvalues --- .51149 .51359 .52183 .52659 .54210 Eigenvalues --- .54908 .55832 .56301 .57337 .57894 Eigenvalues --- .58248 .58479 .58747 .59922 .62771 Eigenvalues --- .68154 .71982 .79975 .81471 .86926 Eigenvalues --- .87961 .90266 1.01449 4.686731000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.11755459D-05. Quartic linear search produced a step of -.26207. Iteration 1 RMS(Cart)= .00722229 RMS(Int)= .00000853 Iteration 2 RMS(Cart)= .00002825 RMS(Int)= .00000187 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000187 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01485 -.00011 -.00007 .00007 .00001 3.01486 R2 3.04433 .00000 .00001 -.00005 -.00004 3.04430 R3 2.82021 .00000 -.00006 -.00002 -.00009 2.82013 R4 2.80392 .00004 .00009 -.00010 -.00001 2.80392 R5 3.09058 -.00027 -.00013 -.00020 -.00032 3.09025 R6 3.12243 .00018 .00005 -.00002 .00003 3.12246 R7 2.76490 .00001 .00001 .00002 .00003 2.76492 R8 2.78359 -.00014 -.00002 .00005 .00002 2.78361 R9 2.63234 -.00013 -.00004 -.00001 -.00006 2.63228 R10 2.87750 -.00006 -.00001 .00003 .00002 2.87752 R11 2.05248 .00001 .00000 .00001 .00002 2.05250 R12 2.04470 -.00002 .00000 -.00002 -.00002 2.04468 R13 2.90003 -.00025 -.00004 -.00013 -.00017 2.89986 R14 2.72282 .00026 .00002 .00027 .00028 2.72310 R15 2.04810 .00001 .00001 -.00001 -.00001 2.04809 R16 2.86969 .00000 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3.13125 D90 -2.60163 -.00015 -.00080 .00303 .00223 -2.59940 D91 .56273 -.00004 -.00072 .00418 .00347 .56620 D92 .54791 -.00007 -.00096 .00372 .00275 .55067 D93 -2.57092 .00004 -.00088 .00487 .00399 -2.56692 D94 -.02728 -.00010 .00007 .00048 .00055 -.02673 D95 3.11317 .00003 .00016 .00048 .00064 3.11381 D96 3.10638 -.00019 .00023 -.00020 .00002 3.10641 D97 -.03636 -.00005 .00032 -.00021 .00011 -.03625 D98 3.08168 .00010 .00005 .00066 .00071 3.08238 D99 .40206 .00003 .00081 .00019 .00100 .40306 D100 -.08437 -.00001 -.00004 -.00058 -.00062 -.08499 D101 -2.76398 -.00009 .00073 -.00106 -.00033 -2.76431 D102 1.78837 .00002 -.00183 .00159 -.00022 1.78814 D103 -.36636 -.00002 -.00143 .00109 -.00034 -.36670 D104 -2.42764 -.00003 -.00168 .00142 -.00025 -2.42789 D105 -1.27337 .00008 .00463 -.00314 .00149 -1.27188 D106 2.98062 .00005 .00443 -.00291 .00151 2.98214 D107 .91071 .00007 .00429 -.00262 .00167 .91238 D108 .88173 .00004 .00408 -.00243 .00165 .88338 D109 -1.14747 .00000 .00388 -.00220 .00167 -1.14580 D110 3.06580 .00002 .00373 -.00191 .00183 3.06763 D111 2.95312 .00006 .00447 -.00301 .00146 2.95458 D112 .92393 .00003 .00427 -.00279 .00148 .92541 D113 -1.14599 .00005 .00413 -.00250 .00163 -1.14435 D114 -2.66809 -.00005 .00056 -.00092 -.00036 -2.66845 D115 1.56526 .00001 .00082 -.00109 -.00026 1.56499 D116 -.64296 -.00001 .00080 -.00118 -.00037 -.64333 D117 -.61110 .00002 .00069 -.00107 -.00037 -.61147 D118 -2.66094 .00008 .00096 -.00123 -.00027 -2.66122 D119 1.41403 .00006 .00094 -.00132 -.00038 1.41365 D120 1.42833 -.00003 .00073 -.00130 -.00057 1.42777 D121 -.62151 .00003 .00099 -.00147 -.00047 -.62198 D122 -2.82972 .00002 .00098 -.00156 -.00058 -2.83030 D123 2.57932 .00008 -.00063 .00209 .00147 2.58078 D124 .39697 -.00001 -.00056 .00181 .00124 .39822 D125 -1.63623 .00004 -.00043 .00182 .00140 -1.63483 D126 .59698 -.00003 -.00056 .00007 -.00049 .59649 D127 -1.40204 .00004 -.00049 .00048 -.00001 -1.40205 D128 2.70595 .00004 -.00037 .00054 .00017 2.70612 D129 2.72665 -.00013 -.00084 .00030 -.00054 2.72611 D130 .72762 -.00005 -.00077 .00071 -.00006 .72756 D131 -1.44757 -.00005 -.00065 .00077 .00012 -1.44746 D132 -1.42407 -.00001 -.00070 .00070 .00000 -1.42406 D133 2.86009 .00007 -.00063 .00111 .00048 2.86057 D134 .68490 .00007 -.00051 .00117 .00066 .68556 D135 -1.26469 .00002 -.00091 -.00014 -.00105 -1.26574 D136 3.04656 .00004 -.00077 -.00021 -.00098 3.04558 D137 .92853 -.00005 -.00095 -.00044 -.00139 .92714 D138 1.68695 -.00002 .00023 .00069 .00092 1.68787 D139 -.38753 .00005 .00023 .00100 .00123 -.38630 D140 -2.49933 .00003 .00029 .00120 .00149 -2.49784 D141 -2.56972 -.00001 .00019 .00056 .00075 -2.56897 D142 1.63898 .00006 .00019 .00088 .00107 1.64004 D143 -.47282 .00004 .00024 .00107 .00132 -.47150 D144 -.44027 -.00001 .00019 .00054 .00073 -.43954 D145 -2.51475 .00006 .00019 .00086 .00105 -2.51371 D146 1.65664 .00004 .00024 .00106 .00130 1.65793 D147 -.58026 -.00010 -.00046 -.00370 -.00416 -.58443 D148 -2.52025 -.00009 -.00055 -.00362 -.00418 -2.52443 D149 1.62138 -.00013 -.00062 -.00383 -.00445 1.61693 D150 1.43258 -.00002 -.00071 -.00129 -.00199 1.43059 D151 -1.74197 -.00001 -.00106 -.00029 -.00136 -1.74332 D152 -2.78942 .00000 -.00067 -.00141 -.00209 -2.79151 D153 .31922 .00002 -.00103 -.00042 -.00145 .31777 D154 -.69576 -.00008 -.00078 -.00159 -.00237 -.69813 D155 2.41288 -.00006 -.00114 -.00059 -.00174 2.41114 D156 -.00564 -.00004 .00022 -.00184 -.00162 -.00726 D157 -2.13688 .00000 .00025 -.00190 -.00164 -2.13852 D158 2.09708 .00004 .00028 -.00198 -.00171 2.09538 D159 -.00994 .00002 -.00025 .00081 .00055 -.00939 D160 3.12415 .00001 -.00031 .00082 .00050 3.12465 D161 -3.12464 .00000 .00003 .00000 .00003 -3.12461 D162 .00944 .00000 -.00002 .00001 -.00002 .00943 D163 -3.12245 .00000 .00031 -.00088 -.00057 -3.12302 D164 .00399 .00004 .00052 -.00039 .00012 .00411 D165 -.00848 .00001 .00000 -.00004 -.00004 -.00852 D166 3.11796 .00005 .00022 .00044 .00066 3.11861 D167 3.12578 .00001 .00003 .00002 .00005 3.12583 D168 -.00688 .00001 .00010 .00001 .00011 -.00677 D169 -3.13314 -.00001 -.00004 -.00003 -.00007 -3.13322 D170 -.00798 -.00001 .00004 .00002 .00006 -.00792 D171 .00120 -.00001 -.00010 -.00003 -.00012 .00108 D172 3.12637 -.00001 -.00002 .00003 .00001 3.12638 D173 .00414 -.00001 -.00002 -.00002 -.00004 .00411 D174 -3.13526 .00000 -.00004 -.00007 -.00011 -3.13537 D175 .00454 .00000 -.00005 .00003 -.00002 .00452 D176 -3.13922 -.00001 -.00003 .00008 .00005 -3.13917 D177 3.10944 .00000 .00011 -.00012 -.00002 3.10942 D178 -.01057 .00000 .00005 -.00004 .00001 -.01056 D179 2.86497 .00004 .00113 -.00091 .00022 2.86519 D180 .29795 -.00004 -.00102 .00066 -.00037 .29758 D181 -.29894 .00004 .00119 -.00100 .00019 -.29874 D182 -2.86596 -.00004 -.00097 .00057 -.00039 -2.86636 D183 .00795 .00000 .00002 .00004 .00005 .00800 D184 -3.11261 .00000 -.00008 -.00004 -.00012 -3.11273 D185 -3.11130 .00000 -.00004 .00013 .00008 -3.11122 D186 .05133 .00000 -.00014 .00005 -.00009 .05123 D187 .00294 .00001 -.00003 -.00005 -.00008 .00286 D188 3.12435 .00001 .00006 .00002 .00008 3.12444 D189 .00346 -.00002 .00002 .00005 .00007 .00353 D190 -3.12226 -.00006 -.00020 -.00045 -.00065 -3.12291 Item Value Threshold Converged? Maximum Force .000952 .000450 NO RMS Force .000134 .000300 YES Maximum Displacement .030795 .001800 NO RMS Displacement .007234 .001200 NO Predicted change in Energy=-6.298152D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.166443 -.426131 -1.487864 2 8 0 2.566728 -.197585 -2.217419 3 15 0 3.813264 .843584 -2.026903 4 8 0 4.456965 .230278 -.634167 5 6 0 5.652972 -.480607 -.567056 6 6 0 5.505953 -1.647436 .400190 7 6 0 4.537933 -2.762621 -.017080 8 6 0 3.235011 -2.232912 .555437 9 6 0 3.719349 -1.654443 1.878124 10 7 0 2.819465 -.547781 2.332079 11 6 0 1.716327 -.894021 3.010327 12 6 0 .819690 .047983 3.422719 13 6 0 1.063847 1.381181 3.111438 14 6 0 2.173128 1.719369 2.363830 15 6 0 2.399115 3.169374 2.018356 16 7 0 3.014279 3.420070 .863160 17 8 0 2.038751 4.009706 2.807252 18 6 0 3.035555 .715795 1.971447 19 8 0 4.990876 -1.180248 1.662299 20 8 0 2.177897 -3.099577 .708215 21 8 0 4.861275 -3.971164 .623022 22 8 0 4.764865 .592591 -3.109595 23 8 0 3.298512 2.172558 -1.654533 24 8 0 .170938 .279978 -2.539344 25 6 0 -1.190961 -.046177 -2.595156 26 6 0 -2.025691 1.027411 -1.913745 27 6 0 -1.977270 1.100608 -.381484 28 6 0 -3.343072 1.711067 -.070374 29 6 0 -4.232207 1.113849 -1.162119 30 7 0 -4.972548 -.068918 -.719978 31 6 0 -6.137872 -.070533 -.015644 32 7 0 -6.842243 .968237 .426179 33 6 0 -7.929013 .592022 1.054850 34 7 0 -8.371478 -.640392 1.286838 35 6 0 -7.647718 -1.659874 .846077 36 7 0 -8.067342 -2.921036 1.108366 37 6 0 -6.465941 -1.399020 .150358 38 7 0 -5.526988 -2.212266 -.448903 39 6 0 -4.675864 -1.388743 -.945947 40 8 0 -3.392331 .733692 -2.200415 41 8 0 -3.302948 3.092979 -.261248 42 8 0 -.989931 1.916209 .142508 43 8 0 1.124578 .319668 -.195917 44 8 0 .883430 -1.881384 -1.426941 45 1 0 6.434455 .176411 -.196518 46 1 0 5.953142 -.839706 -1.542590 47 1 0 6.487476 -2.060731 .601257 48 1 0 4.480585 -2.886656 -1.091814 49 1 0 2.964291 -1.395798 -.050788 50 1 0 3.703974 -2.383981 2.675678 51 1 0 1.589920 -1.940411 3.198170 52 1 0 -.053817 -.251406 3.967637 53 1 0 .394712 2.157373 3.427804 54 1 0 3.104384 4.385579 .633130 55 1 0 3.045011 2.788986 .068053 56 1 0 3.900408 .893086 1.371865 57 1 0 1.554714 -2.884270 .002382 58 1 0 5.578236 -4.388912 .167659 59 1 0 -1.374774 -1.017205 -2.152619 60 1 0 -1.474048 -.092683 -3.638851 61 1 0 -1.768916 1.996464 -2.322882 62 1 0 -1.918413 .094309 .029877 63 1 0 -3.705714 1.470907 .922859 64 1 0 -4.958543 1.839559 -1.494009 65 1 0 -8.552766 1.381016 1.435626 66 1 0 -7.662391 -3.660487 .579930 67 1 0 -9.016734 -3.025970 1.385781 68 1 0 -3.809095 -1.666750 -1.504332 69 1 0 -2.429000 3.385238 -.023327 70 1 0 -.131192 1.483603 .020319 --------------------------------------------------------------------- Rotational constants (GHZ): .1256550 .0376270 .0367932 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6574.2169955011 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32029549 A.U. after 10 cycles Convg = .7490D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000094192 .000139760 .000062811 2 8 .000048272 .000164940 .000106311 3 15 -.000220422 -.000288358 -.000085039 4 8 .000039695 -.000065467 .000200797 5 6 -.000022732 .000100192 -.000056830 6 6 -.000101637 -.000015967 -.000199782 7 6 .000056774 -.000070575 .000156236 8 6 .000020293 .000213860 -.000108574 9 6 .000098203 -.000160897 -.000002985 10 7 .000216746 .000655311 -.000064364 11 6 -.000109851 -.000141648 .000081883 12 6 .000062829 .000008559 -.000009702 13 6 .000062202 .000000020 -.000120517 14 6 -.000010471 -.000050451 -.000046901 15 6 -.000256363 .000244512 .000527988 16 7 .000047003 -.000044368 -.000166556 17 8 .000018651 -.000137040 -.000166694 18 6 -.000014644 -.000420115 -.000015595 19 8 -.000242172 -.000175612 .000149422 20 8 -.000201822 -.000066580 -.000281000 21 8 -.000005932 .000022636 .000006547 22 8 -.000020936 .000085594 -.000044281 23 8 .000004708 -.000062783 -.000026819 24 8 -.000093481 -.000128067 -.000160605 25 6 .000147575 .000093666 .000084085 26 6 .000173435 -.000007124 .000062475 27 6 -.000139632 -.000144116 .000221043 28 6 -.000048421 -.000189079 .000002367 29 6 -.000033689 .000264239 .000182806 30 7 .000108049 .000020461 -.000086716 31 6 .000034735 .000076594 .000067982 32 7 -.000045543 -.000004254 -.000016308 33 6 .000046898 -.000008965 .000007272 34 7 .000006823 -.000026436 -.000002464 35 6 -.000008239 -.000035549 .000045511 36 7 -.000039369 .000073178 -.000140923 37 6 .000035101 -.000053651 .000013004 38 7 -.000035011 .000033382 -.000052307 39 6 -.000069540 -.000120997 -.000013475 40 8 -.000142535 -.000108552 -.000017065 41 8 -.000020481 .000132252 -.000184701 42 8 -.000033284 .000143287 -.000108039 43 8 -.000082021 .000031172 .000062529 44 8 -.000003044 -.000073134 -.000058687 45 1 .000028638 -.000030303 .000002175 46 1 .000018027 -.000008760 .000015866 47 1 .000008531 -.000007282 .000010227 48 1 -.000022268 .000027823 -.000014571 49 1 -.000048890 -.000042385 -.000042150 50 1 .000011454 .000058227 .000053328 51 1 -.000007349 .000004394 -.000043753 52 1 .000007820 -.000001859 .000021493 53 1 -.000020260 .000010201 .000007820 54 1 .000032078 .000036730 -.000006108 55 1 .000034898 .000039634 -.000034166 56 1 .000091396 .000078346 .000003227 57 1 .000322953 .000056437 .000249452 58 1 -.000010074 .000006031 -.000005254 59 1 .000013218 -.000043197 -.000054414 60 1 -.000016009 .000048096 -.000002167 61 1 -.000029923 -.000025597 -.000016080 62 1 .000022886 .000084415 -.000125691 63 1 .000111498 -.000019158 .000036111 64 1 .000013715 -.000025410 -.000111538 65 1 .000002002 .000001546 -.000009934 66 1 .000029316 .000005154 .000046482 67 1 .000026395 .000006831 .000043200 68 1 .000018741 .000020057 .000050499 69 1 -.000038075 -.000007694 .000117848 70 1 .000078371 -.000176111 .000003957 ------------------------------------------------------------------- Cartesian Forces: Max .000655311 RMS .000116022 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000460776 RMS .000078442 Search for a local minimum. Step number 14 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 Trust test= 1.58D+00 RLast= 2.14D-02 DXMaxT set to 7.68D-02 Eigenvalues --- .00119 .00401 .00574 .00776 .00821 Eigenvalues --- .00854 .01116 .01246 .01343 .01493 Eigenvalues --- .01566 .01624 .01646 .01855 .01990 Eigenvalues --- .02065 .02078 .02168 .02258 .02281 Eigenvalues --- .02299 .02310 .02335 .02386 .02387 Eigenvalues --- .02397 .02419 .02471 .02515 .02523 Eigenvalues --- .02559 .02594 .02717 .02747 .02778 Eigenvalues --- .02900 .02953 .03074 .03304 .03442 Eigenvalues --- .03545 .03810 .03933 .04012 .04038 Eigenvalues --- .04369 .04797 .04970 .05028 .05193 Eigenvalues --- .05232 .05571 .05653 .05712 .05816 Eigenvalues --- .05974 .06004 .06087 .06223 .06291 Eigenvalues --- .06482 .06663 .06928 .07081 .07320 Eigenvalues --- .07760 .07814 .08169 .08347 .08829 Eigenvalues --- .08957 .09244 .10040 .10568 .11146 Eigenvalues --- .11507 .11585 .13366 .13571 .14282 Eigenvalues --- .14754 .15612 .15929 .15998 .15999 Eigenvalues --- .15999 .16000 .16000 .16000 .16000 Eigenvalues --- .16002 .16003 .16017 .16139 .16305 Eigenvalues --- .16377 .16510 .16892 .17110 .17639 Eigenvalues --- .17770 .18412 .18993 .19537 .19615 Eigenvalues --- .19855 .20407 .21332 .21988 .22137 Eigenvalues --- .23076 .23156 .23486 .23586 .23626 Eigenvalues --- .23865 .24695 .24977 .24989 .24994 Eigenvalues --- .24996 .24998 .25118 .25590 .25773 Eigenvalues --- .26521 .27046 .28339 .28554 .28877 Eigenvalues --- .29170 .29858 .30292 .31507 .31830 Eigenvalues --- .32065 .35004 .35255 .35495 .35557 Eigenvalues --- .35583 .35675 .35709 .35743 .35756 Eigenvalues --- .35880 .36100 .36544 .36693 .36766 Eigenvalues --- .36904 .36959 .37157 .37317 .37550 Eigenvalues --- .37817 .39424 .39753 .41152 .41357 Eigenvalues --- .43374 .44613 .44789 .44870 .44943 Eigenvalues --- .45131 .45296 .45527 .45753 .45988 Eigenvalues --- .46283 .47355 .48284 .48625 .48689 Eigenvalues --- .48831 .48898 .49020 .49889 .51024 Eigenvalues --- .51147 .51520 .52087 .52642 .54127 Eigenvalues --- .55338 .55771 .55837 .57337 .57623 Eigenvalues --- .57901 .58479 .58691 .59849 .60258 Eigenvalues --- .62826 .68257 .79551 .81463 .86697 Eigenvalues --- .89025 .90250 1.01497 4.858271000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.19828529D-05. Quartic linear search produced a step of 1.45998. Maximum step size ( .077) exceeded in Quadratic search. -- Step size scaled by .834 Iteration 1 RMS(Cart)= .05095042 RMS(Int)= .00027089 Iteration 2 RMS(Cart)= .00083083 RMS(Int)= .00002143 Iteration 3 RMS(Cart)= .00000010 RMS(Int)= .00002143 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01486 -.00010 .00001 .00011 .00012 3.01498 R2 3.04430 .00004 -.00005 .00010 .00001 3.04430 R3 2.82013 .00003 -.00013 .00007 -.00003 2.82010 R4 2.80392 .00004 -.00001 -.00023 -.00024 2.80368 R5 3.09025 -.00020 -.00047 -.00043 -.00090 3.08935 R6 3.12246 .00014 .00004 -.00001 .00003 3.12249 R7 2.76492 .00000 .00004 -.00001 .00003 2.76496 R8 2.78361 -.00007 .00003 .00011 .00014 2.78376 R9 2.63228 -.00002 -.00008 -.00001 -.00010 2.63219 R10 2.87752 -.00009 .00003 -.00008 -.00005 2.87747 R11 2.05250 .00000 .00003 .00000 .00003 2.05253 R12 2.04468 -.00001 -.00003 .00000 -.00003 2.04465 R13 2.89986 -.00019 -.00025 -.00037 -.00062 2.89924 R14 2.72310 .00009 .00041 .00034 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.00002 .00097 .00182 .00279 -1.42806 D30 2.65827 -.00002 .00112 .00155 .00267 2.66094 D31 2.57084 .00004 .00038 .00162 .00199 2.57283 D32 .55949 .00000 .00024 .00155 .00179 .56128 D33 -1.63457 -.00003 .00040 .00127 .00167 -1.63290 D34 1.95802 -.00020 -.00154 -.00300 -.00455 1.95347 D35 -.23448 -.00005 -.00236 -.00330 -.00567 -.24014 D36 -2.26901 -.00009 -.00194 -.00312 -.00506 -2.27407 D37 -.68501 -.00005 .00043 -.00012 .00031 -.68470 D38 -2.84359 -.00005 .00058 -.00028 .00030 -2.84329 D39 1.24020 .00000 .00081 -.00024 .00057 1.24077 D40 1.35038 -.00003 .00039 -.00018 .00021 1.35059 D41 -.80820 -.00002 .00054 -.00034 .00020 -.80800 D42 -3.00760 .00003 .00077 -.00030 .00047 -3.00713 D43 -2.77667 .00000 .00042 .00000 .00041 -2.77626 D44 1.34793 .00000 .00057 -.00016 .00041 1.34834 D45 -.85147 .00005 .00080 -.00012 .00068 -.85079 D46 -1.40490 -.00004 -.00024 -.00138 -.00162 -1.40652 D47 2.95966 .00002 -.00046 -.00120 -.00166 2.95800 D48 .80164 .00001 -.00044 -.00115 -.00159 .80005 D49 2.67783 .00003 -.00121 -.00161 -.00282 2.67502 D50 .57957 .00005 -.00193 -.00190 -.00384 .57573 D51 -1.55303 .00003 -.00205 -.00211 -.00416 -1.55719 D52 -1.37638 -.00003 -.00176 -.00181 -.00357 -1.37995 D53 2.80855 -.00001 -.00249 -.00211 -.00459 2.80395 D54 .67594 -.00004 -.00260 -.00232 -.00492 .67102 D55 .75183 -.00002 -.00137 -.00171 -.00308 .74875 D56 -1.34643 .00000 -.00209 -.00201 -.00410 -1.35053 D57 2.80415 -.00002 -.00221 -.00222 -.00443 2.79972 D58 -1.83953 -.00001 -.00126 .00148 .00022 -1.83931 D59 2.39221 -.00001 -.00098 .00130 .00032 2.39253 D60 .31614 -.00005 -.00154 .00139 -.00014 .31600 D61 1.47231 -.00006 -.00667 -.00961 -.01628 1.45604 D62 -1.56152 -.00005 -.00614 -.00911 -.01525 -1.57677 D63 -2.75075 -.00009 -.00606 -.00955 -.01561 -2.76636 D64 .49860 -.00008 -.00553 -.00905 -.01458 .48402 D65 -.65212 -.00008 -.00657 -.00959 -.01616 -.66828 D66 2.59723 -.00007 -.00604 -.00909 -.01513 2.58210 D67 -.21807 .00001 .00271 .00333 .00604 -.21203 D68 -2.31926 -.00003 .00253 .00365 .00618 -2.31308 D69 1.92670 .00001 .00328 .00382 .00710 1.93380 D70 -3.10382 .00001 -.00006 .00029 .00023 -3.10359 D71 .03404 -.00002 -.00065 -.00012 -.00078 .03327 D72 -.06951 .00002 -.00052 -.00016 -.00068 -.07019 D73 3.06835 -.00001 -.00111 -.00057 -.00168 3.06668 D74 3.10606 -.00004 -.00104 -.00135 -.00239 3.10366 D75 -.03454 -.00009 -.00116 -.00129 -.00245 -.03699 D76 .07633 .00000 -.00040 -.00077 -.00118 .07516 D77 -3.06427 -.00004 -.00052 -.00071 -.00123 -3.06550 D78 .01306 -.00001 .00097 .00086 .00183 .01488 D79 -3.13698 .00000 .00001 .00034 .00035 -3.13662 D80 -3.12454 .00002 .00160 .00130 .00290 -3.12164 D81 .00861 .00002 .00064 .00078 .00142 .01004 D82 .03519 -.00002 -.00055 -.00066 -.00120 .03399 D83 -3.12501 .00002 -.00028 -.00039 -.00067 -3.12568 D84 -3.09780 -.00003 .00043 -.00013 .00030 -3.09750 D85 .02519 .00001 .00070 .00014 .00083 .02602 D86 3.12118 .00008 .00042 .00136 .00179 3.12296 D87 -.02853 .00005 -.00032 -.00023 -.00054 -.02908 D88 -.00223 .00003 .00017 .00111 .00128 -.00095 D89 3.13125 .00000 -.00057 -.00048 -.00105 3.13020 D90 -2.59940 -.00006 .00325 .00999 .01325 -2.58615 D91 .56620 -.00006 .00506 .00150 .00656 .57276 D92 .55067 -.00002 .00402 .01165 .01567 .56634 D93 -2.56692 -.00002 .00583 .00316 .00899 -2.55794 D94 -.02673 -.00004 .00080 .00095 .00175 -.02497 D95 3.11381 .00001 .00093 .00088 .00181 3.11562 D96 3.10641 -.00007 .00004 -.00070 -.00067 3.10574 D97 -.03625 -.00002 .00016 -.00077 -.00061 -.03686 D98 3.08238 .00003 .00103 -.00464 -.00361 3.07877 D99 .40306 -.00001 .00146 -.00445 -.00299 .40007 D100 -.08499 .00003 -.00091 .00448 .00357 -.08142 D101 -2.76431 -.00001 -.00048 .00467 .00419 -2.76012 D102 1.78814 .00003 -.00033 .00629 .00584 1.79398 D103 -.36670 -.00004 -.00050 .00453 .00400 -.36270 D104 -2.42789 -.00004 -.00036 .00537 .00492 -2.42297 D105 -1.27188 -.00001 .00218 -.01026 -.00806 -1.27994 D106 2.98214 -.00002 .00221 -.00940 -.00717 2.97497 D107 .91238 .00000 .00243 -.00928 -.00686 .90552 D108 .88338 .00001 .00241 -.00817 -.00579 .87759 D109 -1.14580 .00000 .00244 -.00732 -.00489 -1.15069 D110 3.06763 .00002 .00267 -.00720 -.00458 3.06305 D111 2.95458 .00002 .00213 -.00981 -.00767 2.94692 D112 .92541 .00001 .00217 -.00895 -.00677 .91864 D113 -1.14435 .00003 .00239 -.00883 -.00646 -1.15081 D114 -2.66845 -.00006 -.00053 -.00372 -.00429 -2.67274 D115 1.56499 -.00005 -.00038 -.00502 -.00547 1.55952 D116 -.64333 -.00002 -.00054 -.00402 -.00460 -.64793 D117 -.61147 .00000 -.00054 -.00391 -.00447 -.61594 D118 -2.66122 .00001 -.00040 -.00521 -.00564 -2.66686 D119 1.41365 .00004 -.00056 -.00421 -.00478 1.40887 D120 1.42777 -.00003 -.00083 -.00414 -.00498 1.42279 D121 -.62198 -.00002 -.00069 -.00544 -.00616 -.62813 D122 -2.83030 .00001 -.00085 -.00444 -.00529 -2.83559 D123 2.58078 .00008 .00214 .00535 .00741 2.58820 D124 .39822 .00001 .00181 .00483 .00667 .40488 D125 -1.63483 .00003 .00204 .00477 .00679 -1.62804 D126 .59649 .00000 -.00071 .00182 .00111 .59760 D127 -1.40205 .00005 -.00002 .00241 .00240 -1.39965 D128 2.70612 .00004 .00025 .00198 .00223 2.70834 D129 2.72611 -.00007 -.00079 .00217 .00137 2.72748 D130 .72756 -.00002 -.00009 .00276 .00266 .73022 D131 -1.44746 -.00003 .00017 .00232 .00249 -1.44497 D132 -1.42406 -.00001 .00000 .00278 .00278 -1.42129 D133 2.86057 .00003 .00070 .00337 .00407 2.86464 D134 .68556 .00003 .00096 .00293 .00390 .68946 D135 -1.26574 -.00001 -.00154 .00270 .00117 -1.26457 D136 3.04558 -.00002 -.00143 .00217 .00075 3.04632 D137 .92714 -.00007 -.00203 .00138 -.00068 .92647 D138 1.68787 -.00002 .00134 .00096 .00230 1.69017 D139 -.38630 .00002 .00180 .00118 .00299 -.38331 D140 -2.49784 .00001 .00217 .00123 .00341 -2.49444 D141 -2.56897 .00000 .00110 .00101 .00211 -2.56686 D142 1.64004 .00005 .00156 .00124 .00280 1.64284 D143 -.47150 .00003 .00193 .00129 .00321 -.46829 D144 -.43954 .00001 .00107 .00118 .00224 -.43729 D145 -2.51371 .00005 .00153 .00141 .00294 -2.51077 D146 1.65793 .00003 .00190 .00146 .00335 1.66128 D147 -.58443 -.00006 -.00608 -.00550 -.01158 -.59600 D148 -2.52443 -.00006 -.00610 -.00495 -.01105 -2.53547 D149 1.61693 -.00009 -.00650 -.00527 -.01177 1.60517 D150 1.43059 -.00002 -.00291 -.00277 -.00568 1.42491 D151 -1.74332 -.00001 -.00198 -.00078 -.00276 -1.74608 D152 -2.79151 -.00001 -.00304 -.00300 -.00605 -2.79756 D153 .31777 .00000 -.00212 -.00101 -.00313 .31463 D154 -.69813 -.00006 -.00346 -.00295 -.00642 -.70455 D155 2.41114 -.00005 -.00253 -.00096 -.00350 2.40764 D156 -.00726 -.00003 -.00237 -.00384 -.00622 -.01349 D157 -2.13852 .00002 -.00240 -.00370 -.00611 -2.14463 D158 2.09538 .00004 -.00249 -.00387 -.00637 2.08901 D159 -.00939 .00001 .00081 .00145 .00226 -.00713 D160 3.12465 .00001 .00073 .00096 .00170 3.12635 D161 -3.12461 .00000 .00005 -.00017 -.00012 -3.12473 D162 .00943 -.00001 -.00002 -.00066 -.00068 .00875 D163 -3.12302 .00001 -.00083 -.00107 -.00191 -3.12493 D164 .00411 .00002 .00018 -.00146 -.00128 .00283 D165 -.00852 .00002 -.00006 .00060 .00054 -.00798 D166 3.11861 .00003 .00096 .00021 .00117 3.11978 D167 3.12583 .00001 .00007 -.00031 -.00024 3.12559 D168 -.00677 .00001 .00016 .00026 .00042 -.00634 D169 -3.13322 .00000 -.00011 .00047 .00036 -3.13286 D170 -.00792 -.00001 .00009 .00055 .00063 -.00729 D171 .00108 -.00001 -.00018 .00000 -.00018 .00090 D172 3.12638 -.00001 .00002 .00008 .00010 3.12647 D173 .00411 -.00001 -.00005 -.00028 -.00033 .00378 D174 -3.13537 .00000 -.00017 -.00018 -.00034 -3.13571 D175 .00452 .00000 -.00003 .00001 -.00002 .00450 D176 -3.13917 -.00001 .00008 -.00009 -.00001 -3.13918 D177 3.10942 .00000 -.00002 -.00051 -.00054 3.10889 D178 -.01056 .00000 .00002 .00028 .00030 -.01025 D179 2.86519 .00004 .00032 -.00172 -.00140 2.86380 D180 .29758 -.00004 -.00053 .00197 .00144 .29902 D181 -.29874 .00004 .00028 -.00254 -.00226 -.30100 D182 -2.86636 -.00004 -.00058 .00115 .00057 -2.86578 D183 .00800 .00000 .00008 -.00028 -.00021 .00779 D184 -3.11273 .00000 -.00018 -.00039 -.00056 -3.11329 D185 -3.11122 .00000 .00012 .00054 .00066 -3.11056 D186 .05123 .00000 -.00013 .00044 .00030 .05154 D187 .00286 .00002 -.00012 -.00019 -.00031 .00255 D188 3.12444 .00001 .00012 -.00009 .00003 3.12447 D189 .00353 -.00002 .00011 -.00026 -.00015 .00338 D190 -3.12291 -.00003 -.00095 .00015 -.00080 -3.12371 Item Value Threshold Converged? Maximum Force .000461 .000450 NO RMS Force .000078 .000300 YES Maximum Displacement .181655 .001800 NO RMS Displacement .051136 .001200 NO Predicted change in Energy=-1.481103D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.182716 -.452650 -1.501052 2 8 0 2.583452 -.171209 -2.211138 3 15 0 3.794341 .905724 -1.995317 4 8 0 4.450685 .290648 -.609262 5 6 0 5.663911 -.390959 -.548856 6 6 0 5.542950 -1.576394 .399144 7 6 0 4.608462 -2.711319 -.039586 8 6 0 3.287804 -2.224219 .529822 9 6 0 3.746747 -1.649594 1.863710 10 7 0 2.814857 -.570339 2.321959 11 6 0 1.705986 -.955856 2.968942 12 6 0 .780198 -.043287 3.382889 13 6 0 .999629 1.301201 3.104396 14 6 0 2.115807 1.680085 2.387508 15 6 0 2.317079 3.141755 2.078412 16 7 0 2.936209 3.430150 .933852 17 8 0 1.929242 3.957075 2.880270 18 6 0 3.009792 .704916 1.993196 19 8 0 5.007932 -1.143067 1.665487 20 8 0 2.254172 -3.121685 .663379 21 8 0 4.959876 -3.918907 .587251 22 8 0 4.759250 .704945 -3.076731 23 8 0 3.235254 2.210769 -1.602495 24 8 0 .181195 .243169 -2.553684 25 6 0 -1.179616 -.088485 -2.598192 26 6 0 -2.016482 .990783 -1.928150 27 6 0 -1.971484 1.080073 -.396805 28 6 0 -3.335768 1.697964 -.095886 29 6 0 -4.224278 1.090629 -1.182498 30 7 0 -4.971328 -.082620 -.727738 31 6 0 -6.135630 -.070102 -.021910 32 7 0 -6.834188 .977280 .408588 33 6 0 -7.922076 .613957 1.042822 34 7 0 -8.370687 -.613410 1.289355 35 6 0 -7.652874 -1.641554 .859314 36 7 0 -8.078525 -2.897521 1.137052 37 6 0 -6.470518 -1.394909 .159541 38 7 0 -5.536321 -2.219924 -.431018 39 6 0 -4.681514 -1.406656 -.938388 40 8 0 -3.382674 .692299 -2.212864 41 8 0 -3.291976 3.077538 -.304357 42 8 0 -.982111 1.896708 .120629 43 8 0 1.104576 .268147 -.196675 44 8 0 .942575 -1.916359 -1.468212 45 1 0 6.427068 .279251 -.163976 46 1 0 5.977259 -.726117 -1.528734 47 1 0 6.534244 -1.965545 .600328 48 1 0 4.561920 -2.822638 -1.116256 49 1 0 2.998645 -1.387135 -.067943 50 1 0 3.741675 -2.387767 2.653423 51 1 0 1.598928 -2.008834 3.130050 52 1 0 -.097316 -.373873 3.902786 53 1 0 .306145 2.054770 3.423208 54 1 0 3.007518 4.402090 .725048 55 1 0 2.985659 2.816070 .126257 56 1 0 3.883037 .915529 1.417170 57 1 0 1.630631 -2.914770 -.044256 58 1 0 5.690113 -4.311875 .130946 59 1 0 -1.358615 -1.054801 -2.142885 60 1 0 -1.467504 -.149669 -3.639793 61 1 0 -1.760636 1.955681 -2.347327 62 1 0 -1.917165 .077472 .023808 63 1 0 -3.700367 1.471158 .899793 64 1 0 -4.945616 1.815570 -1.526924 65 1 0 -8.541150 1.410520 1.415356 66 1 0 -7.678922 -3.644814 .615560 67 1 0 -9.028412 -2.993957 1.415995 68 1 0 -3.816308 -1.695315 -1.493685 69 1 0 -2.420882 3.371918 -.058814 70 1 0 -.126279 1.456919 .002718 --------------------------------------------------------------------- Rotational constants (GHZ): .1263694 .0376014 .0368284 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6576.9061158210 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32030618 A.U. after 11 cycles Convg = .7490D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000124981 -.000065082 -.000008278 2 8 .000084985 .000122139 .000055361 3 15 -.000074324 -.000081488 .000009049 4 8 -.000007128 -.000102423 .000087342 5 6 -.000104803 .000123744 .000013888 6 6 -.000003835 -.000012805 .000102792 7 6 .000062779 -.000024077 .000051093 8 6 .000109870 .000236005 -.000031821 9 6 -.000189744 -.000089612 .000047417 10 7 .000175595 .000068792 -.000157673 11 6 -.000032469 -.000117347 .000044372 12 6 -.000048561 .000096283 -.000030781 13 6 -.000213580 -.000048304 .000138961 14 6 .000757431 -.000181087 -.000068373 15 6 -.001297292 .000290197 -.000030029 16 7 .000532740 .000015175 -.000234070 17 8 .000444732 -.000210247 -.000055923 18 6 -.000215246 .000043949 -.000007888 19 8 .000121389 .000036210 -.000069100 20 8 -.000126028 -.000139129 .000009356 21 8 -.000016134 .000018073 -.000010021 22 8 -.000019108 .000032683 -.000000326 23 8 -.000046057 .000118489 .000136107 24 8 -.000035869 .000107502 .000030407 25 6 -.000075453 .000025577 .000009195 26 6 .000146457 -.000011529 .000117571 27 6 -.000063467 -.000103595 -.000126358 28 6 -.000112011 .000121027 -.000055042 29 6 .000087249 .000265970 -.000025345 30 7 .000070737 -.000295013 .000073167 31 6 -.000042999 .000057931 -.000063177 32 7 -.000007319 -.000015838 -.000004277 33 6 .000017170 .000012326 .000018663 34 7 -.000017793 -.000003020 -.000020533 35 6 .000028074 -.000081684 .000162929 36 7 -.000083937 .000057774 -.000192441 37 6 .000041862 -.000039397 .000021602 38 7 -.000066761 .000011592 -.000050200 39 6 -.000026270 .000083108 .000011113 40 8 -.000135510 -.000116251 -.000025404 41 8 .000035964 -.000090162 .000070826 42 8 .000024165 .000083226 -.000010855 43 8 -.000072519 .000000288 -.000105513 44 8 -.000052303 -.000034339 .000028269 45 1 .000016266 .000005012 -.000042569 46 1 .000005524 -.000039586 -.000001763 47 1 .000003566 -.000014590 .000028338 48 1 -.000029202 .000006062 -.000004388 49 1 .000004053 -.000096878 .000058969 50 1 .000009767 -.000014264 -.000013059 51 1 .000019309 .000016057 -.000000029 52 1 .000019333 -.000009301 .000021278 53 1 .000043294 .000022620 -.000056166 54 1 -.000020991 -.000001079 .000038264 55 1 -.000060472 -.000086581 .000037684 56 1 .000083302 -.000039821 .000000189 57 1 .000068162 .000076682 -.000061935 58 1 -.000005311 .000000546 .000000373 59 1 -.000007382 -.000021872 -.000021198 60 1 -.000022790 -.000023826 -.000019328 61 1 .000022182 .000007643 -.000015609 62 1 -.000010690 .000049152 .000029597 63 1 .000005019 -.000022946 -.000009172 64 1 .000001687 -.000041056 -.000027858 65 1 -.000008319 -.000000627 -.000010143 66 1 .000032346 .000019487 .000057640 67 1 .000041251 .000007158 .000044072 68 1 .000030882 .000008246 -.000012885 69 1 .000037256 .000027955 -.000017213 70 1 .000042299 .000000178 .000140861 ------------------------------------------------------------------- Cartesian Forces: Max .001297292 RMS .000139444 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000881407 RMS .000151236 Search for a local minimum. Step number 15 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 Trust test= 7.22D-01 RLast= 9.95D-02 DXMaxT set to 7.68D-02 Eigenvalues --- .00084 .00406 .00573 .00775 .00813 Eigenvalues --- .00860 .01113 .01253 .01343 .01558 Eigenvalues --- .01566 .01624 .01675 .01863 .01987 Eigenvalues --- .02065 .02167 .02257 .02278 .02296 Eigenvalues --- .02310 .02332 .02386 .02387 .02389 Eigenvalues --- .02418 .02469 .02514 .02522 .02556 Eigenvalues --- .02575 .02716 .02740 .02753 .02823 Eigenvalues --- .02961 .02990 .03090 .03305 .03485 Eigenvalues --- .03569 .03803 .03932 .04015 .04055 Eigenvalues --- .04386 .04799 .04971 .05026 .05194 Eigenvalues --- .05232 .05589 .05691 .05709 .05815 Eigenvalues --- .05962 .06003 .06105 .06225 .06302 Eigenvalues --- .06486 .06702 .06941 .07083 .07298 Eigenvalues --- .07777 .07837 .08167 .08353 .08833 Eigenvalues --- .08994 .09224 .10063 .10584 .11163 Eigenvalues --- .11499 .11590 .13362 .13822 .14296 Eigenvalues --- .14767 .15747 .15978 .15998 .15999 Eigenvalues --- .15999 .16000 .16000 .16000 .16002 Eigenvalues --- .16003 .16015 .16038 .16202 .16325 Eigenvalues --- .16415 .16520 .16905 .17254 .17632 Eigenvalues --- .17785 .18433 .18984 .19574 .19779 Eigenvalues --- .19879 .20447 .21377 .21998 .22139 Eigenvalues --- .23138 .23205 .23485 .23626 .23682 Eigenvalues --- .23870 .24721 .24972 .24990 .24994 Eigenvalues --- .24997 .25002 .25141 .25544 .25943 Eigenvalues --- .26485 .27081 .28367 .28531 .28825 Eigenvalues --- .29199 .29832 .30308 .31537 .32022 Eigenvalues --- .32084 .35001 .35255 .35495 .35559 Eigenvalues --- .35581 .35675 .35711 .35744 .35757 Eigenvalues --- .35879 .36100 .36544 .36701 .36803 Eigenvalues --- .36904 .36959 .37153 .37313 .37565 Eigenvalues --- .37788 .39353 .39443 .41121 .41281 Eigenvalues --- .43099 .44630 .44800 .44878 .44965 Eigenvalues --- .45147 .45301 .45524 .45819 .45992 Eigenvalues --- .46289 .47251 .48290 .48622 .48687 Eigenvalues --- .48897 .48937 .49077 .49899 .51037 Eigenvalues --- .51148 .51663 .52118 .52643 .54161 Eigenvalues --- .55309 .55831 .55859 .56537 .57348 Eigenvalues --- .57900 .58476 .58729 .59878 .60307 Eigenvalues --- .62828 .68269 .79461 .81415 .86311 Eigenvalues --- .88151 .90255 1.01556 4.616471000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.32036131D-05. Quartic linear search produced a step of -.19589. Iteration 1 RMS(Cart)= .03070725 RMS(Int)= .00009006 Iteration 2 RMS(Cart)= .00027103 RMS(Int)= .00000346 Iteration 3 RMS(Cart)= .00000001 RMS(Int)= .00000346 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01498 .00004 -.00002 .00021 .00019 3.01517 R2 3.04430 -.00001 .00000 .00000 .00000 3.04430 R3 2.82010 -.00007 .00001 .00002 .00003 2.82013 R4 2.80368 .00003 .00005 -.00023 -.00018 2.80349 R5 3.08935 -.00010 .00018 -.00053 -.00035 3.08900 R6 3.12249 -.00002 -.00001 -.00003 -.00004 3.12245 R7 2.76496 -.00002 -.00001 -.00004 -.00005 2.76491 R8 2.78376 .00016 -.00003 .00015 .00012 2.78388 R9 2.63219 .00014 .00002 -.00005 -.00003 2.63216 R10 2.87747 -.00003 .00001 .00014 .00015 2.87763 R11 2.05253 .00000 -.00001 .00000 -.00001 2.05252 R12 2.04465 .00002 .00001 .00002 .00003 2.04467 R13 2.89924 .00007 .00012 -.00027 -.00015 2.89909 R14 2.72386 -.00029 -.00015 .00008 -.00007 2.72379 R15 2.04805 .00001 .00001 -.00002 -.00001 2.04804 R16 2.86942 -.00015 .00004 -.00010 -.00006 2.86936 R17 2.65551 -.00003 .00002 -.00009 -.00007 2.65544 R18 2.04735 .00001 -.00001 .00003 .00003 2.04737 R19 2.87840 -.00018 -.00017 .00020 .00003 2.87843 R20 2.59910 .00008 .00004 .00015 .00018 2.59928 R21 2.01913 -.00011 -.00002 -.00016 -.00018 2.01896 R22 2.83031 -.00032 -.00033 .00042 .00009 2.83040 R23 2.59550 -.00002 .00024 -.00016 .00008 2.59559 R24 2.04280 .00000 .00000 .00000 -.00001 2.04280 R25 2.53308 .00004 .00000 -.00008 -.00008 2.53300 R26 2.51579 -.00019 .00014 -.00008 .00006 2.51585 R27 2.57809 .00014 .00002 .00018 .00021 2.57829 R28 2.02314 -.00002 .00000 -.00004 -.00003 2.02310 R29 2.62757 .00009 .00008 -.00035 -.00027 2.62730 R30 2.02616 .00000 .00000 .00001 .00000 2.02617 R31 2.60709 .00021 .00006 .00034 .00040 2.60749 R32 2.02688 -.00003 -.00002 -.00002 -.00004 2.02684 R33 2.84875 .00000 .00005 .00012 .00017 2.84892 R34 2.60867 -.00039 -.00010 -.00022 -.00032 2.60836 R35 2.51874 .00033 -.00011 .00029 .00019 2.51893 R36 2.28191 -.00032 .00004 -.00028 -.00024 2.28167 R37 1.88343 -.00001 -.00002 .00000 -.00002 1.88342 R38 1.91949 .00002 -.00006 .00016 .00010 1.91959 R39 2.01654 .00006 .00003 -.00007 -.00004 2.01650 R40 1.82470 -.00002 .00011 -.00001 .00009 1.82479 R41 1.78865 .00000 .00000 -.00001 -.00001 1.78864 R42 2.64817 .00001 .00006 -.00008 -.00003 2.64814 R43 2.87470 -.00004 -.00005 -.00010 -.00016 2.87453 R44 2.04677 .00001 -.00010 .00043 .00033 2.04710 R45 2.04541 .00003 .00001 .00003 .00004 2.04545 R46 2.89999 .00006 .00006 -.00023 -.00017 2.89982 R47 2.69684 .00009 -.00006 .00032 .00025 2.69710 R48 2.04597 .00002 .00003 -.00004 -.00001 2.04596 R49 2.88678 .00001 .00015 -.00031 -.00016 2.88662 R50 2.61404 .00014 .00015 -.00028 -.00013 2.61391 R51 2.05718 -.00003 .00004 -.00007 -.00003 2.05715 R52 2.89013 -.00003 .00001 -.00001 .00000 2.89013 R53 2.63791 -.00007 -.00012 -.00006 -.00017 2.63774 R54 2.04907 -.00001 -.00001 .00003 .00003 2.04909 R55 2.76534 .00015 .00014 .00010 .00024 2.76558 R56 2.62435 -.00005 -.00009 .00014 .00005 2.62441 R57 2.03924 -.00002 -.00002 .00000 -.00002 2.03921 R58 2.57305 .00001 .00002 -.00003 -.00001 2.57303 R59 2.59205 -.00009 -.00006 -.00009 -.00015 2.59190 R60 2.51435 -.00001 .00001 -.00008 -.00007 2.51427 R61 2.60494 .00001 -.00002 .00012 .00010 2.60504 R62 2.47674 .00000 .00001 -.00003 -.00001 2.47672 R63 2.51302 .00001 .00000 .00003 .00003 2.51305 R64 2.03227 .00000 .00000 -.00001 -.00001 2.03225 R65 2.50506 .00000 .00002 -.00010 -.00007 2.50499 R66 2.56040 -.00010 -.00005 .00027 .00022 2.56062 R67 2.63783 .00002 .00002 -.00006 -.00003 2.63780 R68 1.88033 -.00003 -.00001 .00003 .00002 1.88035 R69 1.87968 -.00003 -.00001 .00005 .00003 1.87971 R70 2.60627 -.00001 .00000 .00001 .00001 2.60628 R71 2.42705 .00003 .00002 .00000 .00002 2.42706 R72 2.01791 .00003 .00002 .00002 .00004 2.01795 R73 1.79847 .00004 .00001 .00006 .00007 1.79854 R74 1.83193 .00005 -.00005 .00009 .00005 1.83198 R75 3.25557 .00003 .00113 -.00255 -.00141 3.25415 R76 3.53429 -.00004 .00015 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-.00636 D169 -3.13286 -.00002 -.00007 -.00017 -.00024 -3.13310 D170 -.00729 -.00003 -.00012 -.00053 -.00066 -.00794 D171 .00090 .00000 .00004 .00004 .00007 .00097 D172 3.12647 -.00002 -.00002 -.00032 -.00034 3.12613 D173 .00378 .00000 .00006 -.00016 -.00010 .00368 D174 -3.13571 .00001 .00007 .00011 .00018 -3.13553 D175 .00450 .00001 .00000 .00014 .00014 .00464 D176 -3.13918 -.00001 .00000 -.00013 -.00013 -3.13931 D177 3.10889 .00002 .00010 .00014 .00024 3.10913 D178 -.01025 -.00001 -.00006 -.00001 -.00007 -.01033 D179 2.86380 .00003 .00027 -.00171 -.00144 2.86236 D180 .29902 -.00006 -.00028 .00115 .00087 .29989 D181 -.30100 .00006 .00044 -.00156 -.00111 -.30212 D182 -2.86578 -.00003 -.00011 .00130 .00119 -2.86459 D183 .00779 .00001 .00004 -.00006 -.00002 .00777 D184 -3.11329 .00002 .00011 .00040 .00051 -3.11278 D185 -3.11056 -.00003 -.00013 -.00022 -.00035 -3.11091 D186 .05154 -.00001 -.00006 .00025 .00019 .05172 D187 .00255 .00003 .00006 .00061 .00067 .00322 D188 3.12447 .00002 -.00001 .00017 .00016 3.12463 D189 .00338 -.00002 .00003 -.00046 -.00043 .00295 D190 -3.12371 -.00001 .00016 -.00008 .00008 -3.12363 Item Value Threshold Converged? Maximum Force .000881 .000450 NO RMS Force .000151 .000300 YES Maximum Displacement .113407 .001800 NO RMS Displacement .030724 .001200 NO Predicted change in Energy=-7.201356D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.192328 -.462190 -1.510485 2 8 0 2.591555 -.146739 -2.209389 3 15 0 3.779799 .951191 -1.975648 4 8 0 4.445156 .331061 -.596179 5 6 0 5.669304 -.331282 -.542595 6 6 0 5.566981 -1.530561 .390196 7 6 0 4.653648 -2.676009 -.065151 8 6 0 3.323130 -2.218500 .505762 9 6 0 3.767986 -1.652462 1.848089 10 7 0 2.816798 -.594224 2.315770 11 6 0 1.711346 -1.006276 2.952074 12 6 0 .768747 -.114419 3.373517 13 6 0 .967376 1.236863 3.113636 14 6 0 2.080918 1.643375 2.407459 15 6 0 2.258881 3.112343 2.118904 16 7 0 2.880094 3.425786 .981968 17 8 0 1.863487 3.910055 2.934470 18 6 0 2.992615 .688350 2.005069 19 8 0 5.021306 -1.122798 1.660435 20 8 0 2.304579 -3.135218 .624591 21 8 0 5.023878 -3.884837 .548238 22 8 0 4.751248 .784951 -3.057033 23 8 0 3.193477 2.239222 -1.566479 24 8 0 .185423 .230763 -2.559864 25 6 0 -1.174712 -.104577 -2.596233 26 6 0 -2.011202 .976513 -1.928860 27 6 0 -1.969457 1.068769 -.397688 28 6 0 -3.332496 1.691442 -.101453 29 6 0 -4.220196 1.082965 -1.188089 30 7 0 -4.970852 -.087289 -.731137 31 6 0 -6.135996 -.070092 -.026814 32 7 0 -6.832775 .980046 .399723 33 6 0 -7.922029 .621022 1.034046 34 7 0 -8.373462 -.604656 1.283892 35 6 0 -7.657383 -1.635610 .857826 36 7 0 -8.086199 -2.889903 1.138808 37 6 0 -6.473820 -1.393675 .158486 38 7 0 -5.540991 -2.222446 -.428980 39 6 0 -4.683746 -1.412497 -.937568 40 8 0 -3.377353 .678733 -2.215178 41 8 0 -3.284337 3.070185 -.313805 42 8 0 -.978649 1.882760 .120976 43 8 0 1.094189 .239671 -.197147 44 8 0 .978090 -1.930130 -1.497931 45 1 0 6.420829 .346557 -.148314 46 1 0 5.989457 -.648825 -1.526151 47 1 0 6.564453 -1.904759 .589178 48 1 0 4.612049 -2.775079 -1.143233 49 1 0 3.021551 -1.379194 -.082509 50 1 0 3.772600 -2.399983 2.628957 51 1 0 1.620820 -2.062892 3.098728 52 1 0 -.105514 -.466201 3.884922 53 1 0 .260114 1.974943 3.438283 54 1 0 2.940823 4.401630 .788647 55 1 0 2.939749 2.824440 .165462 56 1 0 3.865399 .920690 1.436790 57 1 0 1.680614 -2.931236 -.083587 58 1 0 5.761613 -4.260109 .089115 59 1 0 -1.349766 -1.069111 -2.135236 60 1 0 -1.467423 -.172346 -3.636100 61 1 0 -1.753527 1.940178 -2.349739 62 1 0 -1.919749 .066798 .024948 63 1 0 -3.699748 1.468465 .894130 64 1 0 -4.939096 1.808366 -1.536576 65 1 0 -8.539876 1.420039 1.403330 66 1 0 -7.688297 -3.639282 .618992 67 1 0 -9.036920 -2.983079 1.416071 68 1 0 -3.818658 -1.704553 -1.491311 69 1 0 -2.413163 3.363094 -.066652 70 1 0 -.124317 1.439697 .004218 --------------------------------------------------------------------- Rotational constants (GHZ): .1268235 .0375688 .0368432 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6578.1979165517 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32030820 A.U. after 11 cycles Convg = .3671D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000048680 -.000017824 .000031241 2 8 .000069524 .000074193 .000046096 3 15 -.000030295 -.000047786 -.000017749 4 8 -.000028643 -.000113343 .000037204 5 6 -.000033939 .000100433 -.000004140 6 6 -.000002972 -.000000638 .000103800 7 6 .000024998 -.000001592 .000018803 8 6 .000022540 .000112057 .000000136 9 6 -.000122224 -.000039081 .000040592 10 7 .000031976 -.000040990 -.000026839 11 6 .000011782 -.000061204 .000017956 12 6 -.000044233 .000077165 .000012759 13 6 -.000090415 -.000101596 .000061902 14 6 -.000051071 -.000096200 -.000266462 15 6 .000748368 .000117603 .000777934 16 7 .000061237 .000014077 -.000402595 17 8 -.000360553 -.000140159 -.000342086 18 6 -.000081964 .000111105 -.000054131 19 8 .000097223 .000024881 -.000066783 20 8 -.000029767 -.000094694 .000023433 21 8 -.000010971 .000012077 -.000008405 22 8 -.000009855 .000016214 .000004291 23 8 -.000042919 .000105346 .000111397 24 8 -.000003261 .000067044 .000024838 25 6 -.000039030 -.000015003 -.000006424 26 6 .000090008 -.000017496 .000067316 27 6 -.000042591 -.000103385 -.000058612 28 6 -.000067912 .000095400 -.000013154 29 6 .000065443 .000141091 -.000046238 30 7 .000044708 -.000182852 .000082176 31 6 .000002358 .000003605 .000006526 32 7 -.000004417 .000005109 .000006130 33 6 .000003574 -.000001130 -.000006208 34 7 -.000013118 .000014205 .000006151 35 6 -.000008131 -.000113736 .000109606 36 7 -.000078158 .000074766 -.000193149 37 6 .000007253 -.000008383 -.000040825 38 7 -.000023049 -.000000673 .000031967 39 6 -.000028581 .000064544 -.000062184 40 8 -.000104855 -.000018597 .000007837 41 8 .000012833 -.000039020 .000049345 42 8 .000028208 .000063977 .000008824 43 8 .000009372 -.000037094 -.000050400 44 8 -.000000095 -.000011014 .000008235 45 1 .000007529 .000004748 -.000034994 46 1 .000004497 -.000029325 .000000171 47 1 .000005499 -.000005514 .000016748 48 1 -.000009089 .000000915 .000002914 49 1 -.000012905 -.000043425 .000002746 50 1 .000001015 -.000006085 -.000013494 51 1 -.000000704 .000006707 -.000002785 52 1 .000009119 -.000011027 .000008949 53 1 .000009582 .000020135 -.000012173 54 1 -.000042299 .000015157 .000003998 55 1 -.000134889 -.000045732 -.000019745 56 1 .000039862 -.000014124 -.000011646 57 1 .000017893 .000082914 -.000032761 58 1 -.000001949 .000001417 .000001373 59 1 -.000011846 .000000419 -.000004802 60 1 .000004303 -.000007113 -.000009735 61 1 .000006801 .000001951 -.000009470 62 1 .000006363 .000026539 .000000059 63 1 -.000003426 -.000010799 -.000012698 64 1 .000000190 -.000024654 -.000029167 65 1 -.000003279 -.000000498 -.000000222 66 1 .000040324 .000016648 .000059889 67 1 .000042224 .000008250 .000053176 68 1 .000016737 .000006913 .000002425 69 1 .000014733 .000001960 -.000018145 70 1 -.000033349 .000012220 .000029279 ------------------------------------------------------------------- Cartesian Forces: Max .000777934 RMS .000101868 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000730907 RMS .000116741 Search for a local minimum. Step number 16 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 Trust test= 2.80D-01 RLast= 5.59D-02 DXMaxT set to 7.68D-02 Eigenvalues --- .00083 .00393 .00574 .00773 .00806 Eigenvalues --- .00872 .01112 .01243 .01349 .01560 Eigenvalues --- .01566 .01625 .01734 .01864 .01983 Eigenvalues --- .02063 .02168 .02257 .02279 .02302 Eigenvalues --- .02310 .02335 .02383 .02387 .02415 Eigenvalues --- .02423 .02470 .02516 .02522 .02545 Eigenvalues --- .02574 .02718 .02749 .02776 .02901 Eigenvalues --- .02957 .03091 .03299 .03431 .03556 Eigenvalues --- .03783 .03922 .04013 .04036 .04391 Eigenvalues --- .04646 .04845 .04980 .05169 .05225 Eigenvalues --- .05296 .05663 .05701 .05730 .05839 Eigenvalues --- .05953 .06012 .06116 .06231 .06303 Eigenvalues --- .06493 .06704 .07020 .07106 .07428 Eigenvalues --- .07787 .07827 .08169 .08351 .08827 Eigenvalues --- .08982 .09289 .10059 .10594 .11145 Eigenvalues --- .11497 .11590 .13362 .13817 .14285 Eigenvalues --- .14760 .15772 .15966 .15997 .15999 Eigenvalues --- .15999 .16000 .16000 .16000 .16002 Eigenvalues --- .16004 .16014 .16031 .16176 .16362 Eigenvalues --- .16403 .16488 .16915 .17239 .17628 Eigenvalues --- .17789 .18433 .18972 .19556 .19780 Eigenvalues --- .19899 .20459 .21413 .22020 .22144 Eigenvalues --- .23091 .23156 .23487 .23625 .23711 Eigenvalues --- .23876 .24695 .24849 .24988 .24991 Eigenvalues --- .24997 .25003 .25028 .25508 .25848 Eigenvalues --- .26495 .26990 .28376 .28500 .28811 Eigenvalues --- .29160 .29780 .30294 .31551 .32018 Eigenvalues --- .32158 .34989 .35254 .35495 .35559 Eigenvalues --- .35579 .35674 .35709 .35745 .35757 Eigenvalues --- .35878 .36099 .36544 .36635 .36778 Eigenvalues --- .36900 .36959 .37148 .37337 .37572 Eigenvalues --- .37742 .38804 .39451 .40953 .41195 Eigenvalues --- .42796 .44578 .44800 .44884 .44979 Eigenvalues --- .45106 .45309 .45539 .45834 .45993 Eigenvalues --- .46293 .47262 .48292 .48619 .48687 Eigenvalues --- .48921 .49020 .49087 .49912 .50853 Eigenvalues --- .51143 .51447 .52183 .52612 .54148 Eigenvalues --- .54649 .55828 .55898 .56387 .57351 Eigenvalues --- .57901 .58475 .58792 .59903 .60699 Eigenvalues --- .62837 .68287 .79407 .81373 .85999 Eigenvalues --- .87544 .90254 1.01341 4.730941000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-4.86149509D-06. Quartic linear search produced a step of -.41869. Iteration 1 RMS(Cart)= .01702548 RMS(Int)= .00002652 Iteration 2 RMS(Cart)= .00007557 RMS(Int)= .00000132 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000132 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01517 .00002 -.00008 .00004 -.00004 3.01513 R2 3.04430 .00002 .00000 .00000 .00001 3.04431 R3 2.82013 -.00004 -.00001 -.00012 -.00014 2.81999 R4 2.80349 -.00001 .00008 .00004 .00011 2.80361 R5 3.08900 -.00009 .00015 -.00035 -.00021 3.08879 R6 3.12245 -.00003 .00001 .00007 .00009 3.12254 R7 2.76491 -.00001 .00002 -.00002 .00000 2.76491 R8 2.78388 .00014 -.00005 .00005 .00000 2.78388 R9 2.63216 .00009 .00001 -.00005 -.00004 2.63212 R10 2.87763 .00001 -.00006 .00014 .00008 2.87770 R11 2.05252 .00000 .00000 .00000 .00000 2.05252 R12 2.04467 .00001 -.00001 .00002 .00001 2.04469 R13 2.89909 .00008 .00006 -.00011 -.00005 2.89905 R14 2.72379 -.00020 .00003 -.00013 -.00010 2.72369 R15 2.04804 .00001 .00000 .00001 .00001 2.04805 R16 2.86936 -.00008 .00002 -.00002 .00000 2.86936 R17 2.65544 -.00002 .00003 -.00007 -.00004 2.65540 R18 2.04737 .00000 -.00001 .00002 .00001 2.04738 R19 2.87843 -.00016 -.00001 .00002 .00001 2.87844 R20 2.59928 .00002 -.00008 .00013 .00006 2.59933 R21 2.01896 -.00003 .00007 -.00012 -.00004 2.01891 R22 2.83040 -.00025 -.00004 -.00010 -.00014 2.83026 R23 2.59559 .00001 -.00003 .00010 .00007 2.59565 R24 2.04280 -.00001 .00000 -.00002 -.00001 2.04278 R25 2.53300 .00000 .00003 .00011 .00015 2.53315 R26 2.51585 -.00009 -.00002 -.00006 -.00009 2.51577 R27 2.57829 .00010 -.00009 .00001 -.00008 2.57821 R28 2.02310 -.00001 .00001 -.00003 -.00001 2.02309 R29 2.62730 .00006 .00011 -.00008 .00003 2.62733 R30 2.02617 .00000 .00000 .00000 -.00001 2.02616 R31 2.60749 .00015 -.00017 .00016 .00000 2.60749 R32 2.02684 .00001 .00002 -.00001 .00001 2.02684 R33 2.84892 .00000 -.00007 .00011 .00004 2.84895 R34 2.60836 -.00033 .00013 -.00013 .00000 2.60836 R35 2.51893 .00031 -.00008 .00025 .00017 2.51910 R36 2.28167 -.00021 .00010 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.00010 -.00033 -.00022 -3.13333 D170 -.00794 .00000 .00027 -.00043 -.00016 -.00810 D171 .00097 .00000 -.00003 -.00011 -.00014 .00083 D172 3.12613 .00000 .00014 -.00022 -.00007 3.12606 D173 .00368 .00000 .00004 .00001 .00005 .00373 D174 -3.13553 .00000 -.00008 .00011 .00003 -3.13550 D175 .00464 .00000 -.00006 .00002 -.00005 .00460 D176 -3.13931 .00000 .00005 -.00008 -.00003 -3.13934 D177 3.10913 .00001 -.00010 .00048 .00038 3.10951 D178 -.01033 .00000 .00003 -.00008 -.00005 -.01038 D179 2.86236 .00005 .00060 .00135 .00195 2.86432 D180 .29989 -.00005 -.00036 -.00172 -.00208 .29780 D181 -.30212 .00006 .00047 .00194 .00240 -.29971 D182 -2.86459 -.00004 -.00050 -.00114 -.00163 -2.86623 D183 .00777 .00000 .00001 .00012 .00013 .00791 D184 -3.11278 .00000 -.00021 .00026 .00004 -3.11274 D185 -3.11091 -.00001 .00014 -.00046 -.00032 -3.11122 D186 .05172 -.00001 -.00008 -.00033 -.00041 .05132 D187 .00322 .00000 -.00028 .00028 .00000 .00322 D188 3.12463 .00000 -.00007 .00016 .00009 3.12472 D189 .00295 .00001 .00018 -.00002 .00016 .00310 D190 -3.12363 .00000 -.00003 -.00032 -.00035 -3.12398 Item Value Threshold Converged? Maximum Force .000731 .000450 NO RMS Force .000117 .000300 YES Maximum Displacement .064907 .001800 NO RMS Displacement .017036 .001200 NO Predicted change in Energy=-4.628457D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.186080 -.462538 -1.504158 2 8 0 2.586378 -.165914 -2.209082 3 15 0 3.786452 .921417 -1.987304 4 8 0 4.447786 .306509 -.603516 5 6 0 5.666343 -.365669 -.545632 6 6 0 5.555140 -1.554900 .399001 7 6 0 4.630750 -2.696352 -.043813 8 6 0 3.305237 -2.220830 .524018 9 6 0 3.757124 -1.646040 1.860270 10 7 0 2.816821 -.574258 2.318795 11 6 0 1.708269 -.969678 2.960398 12 6 0 .774789 -.064870 3.374326 13 6 0 .986050 1.281887 3.101164 14 6 0 2.102573 1.670990 2.389908 15 6 0 2.293947 3.135461 2.087315 16 7 0 2.916647 3.432320 .946640 17 8 0 1.901667 3.944643 2.892959 18 6 0 3.004564 .703473 1.995563 19 8 0 5.015184 -1.130071 1.666028 20 8 0 2.278336 -3.126874 .652784 21 8 0 4.990479 -3.902370 .581200 22 8 0 4.754098 .735401 -3.068878 23 8 0 3.214475 2.219216 -1.588829 24 8 0 .182068 .229607 -2.556842 25 6 0 -1.178476 -.103706 -2.596424 26 6 0 -2.014731 .978254 -1.930128 27 6 0 -1.971927 1.072941 -.399077 28 6 0 -3.335452 1.694628 -.102710 29 6 0 -4.223351 1.084292 -1.188053 30 7 0 -4.972307 -.086457 -.729390 31 6 0 -6.136234 -.069737 -.023028 32 7 0 -6.832595 .980130 .404921 33 6 0 -7.920527 .620632 1.041236 34 7 0 -8.371057 -.605215 1.291852 35 6 0 -7.655391 -1.635892 .864336 36 7 0 -8.083360 -2.890230 1.145584 37 6 0 -6.473254 -1.393443 .162703 38 7 0 -5.541279 -2.221812 -.426645 39 6 0 -4.685243 -1.411524 -.936744 40 8 0 -3.380999 .679854 -2.215414 41 8 0 -3.288512 3.073211 -.316490 42 8 0 -.981980 1.889482 .117622 43 8 0 1.097063 .252151 -.197186 44 8 0 .958562 -1.928359 -1.477956 45 1 0 6.424464 .309442 -.159371 46 1 0 5.981932 -.695646 -1.526573 47 1 0 6.549562 -1.936050 .600083 48 1 0 4.586870 -2.805780 -1.120805 49 1 0 3.010680 -1.384699 -.072235 50 1 0 3.755651 -2.386000 2.648308 51 1 0 1.607882 -2.023932 3.117239 52 1 0 -.102136 -.403308 3.890147 53 1 0 .286361 2.029836 3.419586 54 1 0 2.983338 4.405622 .742716 55 1 0 2.969856 2.822072 .136293 56 1 0 3.878998 .922009 1.424313 57 1 0 1.655158 -2.922853 -.056018 58 1 0 5.724335 -4.288902 .125212 59 1 0 -1.355774 -1.068117 -2.136215 60 1 0 -1.468852 -.170392 -3.637028 61 1 0 -1.757579 1.941420 -2.352492 62 1 0 -1.920597 .071821 .025286 63 1 0 -3.701763 1.472363 .893360 64 1 0 -4.943265 1.808548 -1.536821 65 1 0 -8.537988 1.419390 1.411735 66 1 0 -7.685231 -3.639905 .626441 67 1 0 -9.032986 -2.984229 1.426165 68 1 0 -3.820934 -1.703180 -1.491917 69 1 0 -2.417395 3.367040 -.070245 70 1 0 -.126706 1.447489 .003516 --------------------------------------------------------------------- Rotational constants (GHZ): .1266149 .0375841 .0368263 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6577.5770139628 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32031352 A.U. after 10 cycles Convg = .7669D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000112752 .000046814 .000049802 2 8 .000025417 .000041150 .000054231 3 15 -.000005052 -.000032317 -.000040780 4 8 -.000024763 -.000069607 -.000002379 5 6 -.000009004 .000058778 -.000007936 6 6 .000000200 .000005511 .000099359 7 6 .000016287 .000000654 -.000010527 8 6 .000031006 .000047933 .000014986 9 6 -.000111788 .000026435 .000027256 10 7 -.000007390 -.000110625 -.000015618 11 6 .000028062 -.000016497 -.000015012 12 6 -.000032093 .000062781 -.000000225 13 6 -.000097003 -.000055791 .000083376 14 6 .000173550 -.000071566 -.000090224 15 6 -.000107812 .000078335 .000191572 16 7 .000223017 .000022331 -.000126205 17 8 .000000165 -.000080616 -.000100438 18 6 -.000056065 .000118201 -.000003682 19 8 .000102714 .000005528 -.000060490 20 8 .000001927 -.000049886 .000024785 21 8 -.000006281 .000011746 -.000007277 22 8 -.000004438 .000009205 .000016059 23 8 -.000015664 .000071795 .000076158 24 8 .000024243 .000025041 -.000053572 25 6 -.000019437 .000009802 .000018115 26 6 .000090849 .000004123 .000025635 27 6 .000009968 -.000079205 -.000060662 28 6 -.000044936 .000108954 -.000005143 29 6 .000053267 .000058721 -.000066085 30 7 -.000004493 -.000107199 .000076446 31 6 .000013996 -.000016322 .000029032 32 7 -.000003030 .000008999 .000004354 33 6 .000002562 .000000129 -.000001261 34 7 -.000005218 .000016077 .000012420 35 6 -.000029270 -.000100956 .000052716 36 7 -.000049768 .000060050 -.000133751 37 6 .000002189 .000002370 -.000036397 38 7 -.000020437 -.000002982 .000020720 39 6 .000005486 .000048773 -.000024034 40 8 -.000041600 .000021293 .000011173 41 8 -.000026243 -.000037012 .000041601 42 8 .000038335 .000044486 .000045974 43 8 .000095017 -.000048336 .000028933 44 8 .000066509 -.000017070 .000017240 45 1 .000003987 .000003260 -.000027061 46 1 -.000000964 -.000019451 -.000002367 47 1 .000004570 .000001591 .000003268 48 1 -.000001239 -.000004806 .000000099 49 1 -.000002190 -.000025135 .000010254 50 1 .000006014 -.000007697 -.000014203 51 1 .000002277 .000002760 .000002296 52 1 .000004623 -.000004673 .000003916 53 1 .000011635 .000007424 -.000019501 54 1 -.000028923 .000009951 .000002212 55 1 -.000092890 -.000040386 -.000034453 56 1 .000005330 -.000018970 .000005933 57 1 -.000054186 .000027381 -.000047026 58 1 -.000000554 .000000057 .000001782 59 1 .000000833 -.000001789 .000000942 60 1 -.000014964 -.000004623 .000001379 61 1 .000013760 .000002951 -.000001031 62 1 .000021440 .000016554 .000008320 63 1 -.000013818 -.000008151 -.000010482 64 1 -.000004335 -.000016703 -.000012451 65 1 -.000002881 .000000168 -.000000043 66 1 .000030000 .000013224 .000044569 67 1 .000033602 .000007572 .000038141 68 1 .000000560 .000001561 -.000002572 69 1 .000011233 -.000011271 -.000023236 70 1 -.000103149 -.000050825 -.000088932 ------------------------------------------------------------------- Cartesian Forces: Max .000223017 RMS .000049671 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000368854 RMS .000061577 Search for a local minimum. Step number 17 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 Trust test= 1.15D+00 RLast= 2.89D-02 DXMaxT set to 8.66D-02 Eigenvalues --- .00120 .00372 .00576 .00745 .00784 Eigenvalues --- .00859 .01116 .01259 .01321 .01549 Eigenvalues --- .01568 .01624 .01640 .01860 .01975 Eigenvalues --- .02063 .02163 .02256 .02277 .02303 Eigenvalues --- .02309 .02329 .02347 .02388 .02414 Eigenvalues --- .02433 .02476 .02481 .02519 .02522 Eigenvalues --- .02582 .02717 .02719 .02758 .02860 Eigenvalues --- .02950 .03088 .03295 .03316 .03600 Eigenvalues --- .03767 .03931 .04019 .04050 .04413 Eigenvalues --- .04738 .04920 .04999 .05165 .05234 Eigenvalues --- .05479 .05675 .05703 .05778 .05912 Eigenvalues --- .05958 .06020 .06123 .06227 .06303 Eigenvalues --- .06485 .06736 .06971 .07143 .07372 Eigenvalues --- .07783 .07829 .08132 .08355 .08846 Eigenvalues --- .09015 .09270 .10063 .10619 .11128 Eigenvalues --- .11498 .11593 .13363 .14030 .14291 Eigenvalues --- .14785 .15754 .15880 .15995 .15999 Eigenvalues --- .16000 .16000 .16000 .16000 .16002 Eigenvalues --- .16006 .16016 .16052 .16193 .16272 Eigenvalues --- .16444 .16481 .16912 .17533 .17572 Eigenvalues --- .17767 .18363 .19072 .19562 .19815 Eigenvalues --- .20255 .20622 .21439 .22041 .22264 Eigenvalues --- .23146 .23485 .23580 .23633 .23858 Eigenvalues --- .24215 .24604 .24768 .24990 .24996 Eigenvalues --- .24997 .25003 .25364 .25533 .25751 Eigenvalues --- .26681 .27336 .28382 .28517 .28846 Eigenvalues --- .29506 .29849 .30587 .31608 .31846 Eigenvalues --- .32293 .34971 .35253 .35495 .35559 Eigenvalues --- .35581 .35672 .35709 .35746 .35757 Eigenvalues --- .35874 .36098 .36341 .36545 .36759 Eigenvalues --- .36901 .36959 .37154 .37371 .37561 Eigenvalues --- .37786 .39076 .39608 .40954 .41183 Eigenvalues --- .42750 .44660 .44823 .44878 .44955 Eigenvalues --- .45123 .45303 .45490 .45850 .45994 Eigenvalues --- .46300 .47356 .48293 .48617 .48688 Eigenvalues --- .48945 .48966 .49636 .49878 .51033 Eigenvalues --- .51150 .51460 .52129 .52649 .53959 Eigenvalues --- .55233 .55834 .56044 .57335 .57743 Eigenvalues --- .57926 .58473 .58775 .59913 .61227 Eigenvalues --- .62857 .68267 .79401 .81342 .86581 Eigenvalues --- .87114 .90256 1.00752 4.183131000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-3.51758322D-06. Quartic linear search produced a step of .18183. Iteration 1 RMS(Cart)= .00360031 RMS(Int)= .00000259 Iteration 2 RMS(Cart)= .00000704 RMS(Int)= .00000065 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000065 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01513 -.00002 -.00001 .00001 .00000 3.01513 R2 3.04431 .00007 .00000 .00015 .00015 3.04446 R3 2.81999 .00000 -.00003 -.00007 -.00010 2.81989 R4 2.80361 -.00001 .00002 -.00002 .00001 2.80361 R5 3.08879 -.00006 -.00004 -.00038 -.00042 3.08837 R6 3.12254 -.00003 .00002 .00003 .00004 3.12258 R7 2.76491 -.00002 .00000 -.00004 -.00004 2.76487 R8 2.78388 .00009 .00000 .00010 .00010 2.78398 R9 2.63212 .00003 -.00001 -.00005 -.00006 2.63207 R10 2.87770 .00003 .00001 .00021 .00023 2.87793 R11 2.05252 .00000 .00000 -.00001 -.00001 2.05252 R12 2.04469 .00001 .00000 .00003 .00004 2.04472 R13 2.89905 .00007 -.00001 -.00011 -.00012 2.89893 R14 2.72369 -.00011 -.00002 -.00014 -.00016 2.72353 R15 2.04805 .00000 .00000 .00001 .00001 2.04807 R16 2.86936 -.00003 .00000 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-.00053 .57714 D92 .56497 .00001 .00000 -.00008 -.00008 .56489 D93 -2.55321 -.00002 -.00105 .00048 -.00057 -2.55377 D94 -.02481 .00005 -.00003 .00014 .00011 -.02469 D95 3.11641 -.00001 .00005 .00052 .00057 3.11698 D96 3.10608 .00009 -.00001 .00016 .00015 3.10622 D97 -.03589 .00003 .00006 .00054 .00060 -.03529 D98 3.08113 -.00004 -.00065 -.00071 -.00136 3.07977 D99 .40584 .00005 -.00015 .00394 .00379 .40963 D100 -.08560 -.00001 .00048 -.00132 -.00084 -.08643 D101 -2.76089 .00008 .00098 .00333 .00431 -2.75658 D102 1.79604 .00002 -.00041 .00105 .00064 1.79668 D103 -.36126 .00002 -.00036 .00079 .00043 -.36083 D104 -2.42122 .00001 -.00040 .00083 .00044 -2.42079 D105 -1.28451 .00000 .00073 -.00039 .00034 -1.28416 D106 2.97049 .00002 .00068 -.00039 .00029 2.97078 D107 .90153 -.00001 .00071 -.00048 .00023 .90176 D108 .87371 .00000 .00067 -.00018 .00049 .87421 D109 -1.15448 .00002 .00061 -.00017 .00044 -1.15403 D110 3.05975 -.00001 .00064 -.00026 .00038 3.06013 D111 2.94250 .00000 .00075 -.00029 .00046 2.94296 D112 .91431 .00002 .00070 -.00029 .00041 .91472 D113 -1.15464 -.00001 .00073 -.00038 .00035 -1.15429 D114 -2.67375 -.00002 .00016 -.00110 -.00094 -2.67470 D115 1.55865 -.00005 .00027 -.00137 -.00111 1.55754 D116 -.64926 .00000 .00020 -.00080 -.00061 -.64986 D117 -.61712 -.00001 .00018 -.00077 -.00060 -.61772 D118 -2.66790 -.00004 .00029 -.00104 -.00076 -2.66866 D119 1.40737 .00001 .00021 -.00047 -.00026 1.40712 D120 1.42151 .00000 .00015 -.00092 -.00077 1.42074 D121 -.62928 -.00003 .00026 -.00119 -.00093 -.63020 D122 -2.83718 .00002 .00019 -.00062 -.00043 -2.83761 D123 2.59034 -.00003 -.00017 .00060 .00043 2.59077 D124 .40623 .00000 -.00019 .00048 .00029 .40651 D125 -1.62670 -.00001 -.00016 .00059 .00043 -1.62627 D126 .59824 .00002 -.00010 .00074 .00064 .59889 D127 -1.39938 .00002 -.00012 .00069 .00057 -1.39881 D128 2.70875 .00002 -.00008 .00046 .00038 2.70912 D129 2.72850 -.00002 -.00013 .00039 .00025 2.72876 D130 .73088 -.00002 -.00015 .00033 .00018 .73106 D131 -1.44418 -.00003 -.00012 .00011 -.00001 -1.44419 D132 -1.42057 .00000 -.00015 .00063 .00048 -1.42009 D133 2.86498 .00000 -.00017 .00058 .00041 2.86539 D134 .68993 -.00001 -.00014 .00035 .00021 .69014 D135 -1.26538 .00005 -.00048 .00085 .00037 -1.26500 D136 3.04556 .00003 -.00042 .00081 .00038 3.04595 D137 .92618 .00000 -.00040 .00032 -.00007 .92610 D138 1.68936 .00000 -.00006 -.00063 -.00069 1.68867 D139 -.38315 .00000 -.00002 -.00039 -.00041 -.38355 D140 -2.49473 .00000 -.00002 -.00046 -.00048 -2.49521 D141 -2.56769 .00001 -.00007 -.00051 -.00058 -2.56827 D142 1.64299 .00000 -.00003 -.00027 -.00030 1.64269 D143 -.46859 .00000 -.00003 -.00034 -.00037 -.46896 D144 -.43771 .00001 -.00006 -.00028 -.00034 -.43806 D145 -2.51022 .00000 -.00002 -.00004 -.00006 -2.51027 D146 1.66139 .00000 -.00002 -.00011 -.00013 1.66126 D147 -.59660 .00000 .00004 -.00012 -.00008 -.59668 D148 -2.53607 .00002 .00001 .00012 .00012 -2.53595 D149 1.60424 .00002 -.00001 -.00003 -.00004 1.60420 D150 1.42298 -.00001 -.00020 -.00269 -.00289 1.42009 D151 -1.74857 -.00002 -.00038 -.00353 -.00392 -1.75249 D152 -2.79999 -.00001 -.00021 -.00283 -.00305 -2.80303 D153 .31165 -.00002 -.00040 -.00368 -.00408 .30757 D154 -.70718 -.00001 -.00025 -.00296 -.00321 -.71039 D155 2.40445 -.00001 -.00043 -.00381 -.00424 2.40021 D156 -.01445 .00001 .00014 -.00001 .00012 -.01433 D157 -2.14495 .00003 .00016 .00034 .00051 -2.14445 D158 2.08882 .00002 .00017 .00033 .00050 2.08931 D159 -.00739 -.00001 -.00013 -.00062 -.00074 -.00813 D160 3.12650 -.00002 -.00011 -.00094 -.00105 3.12545 D161 -3.12454 .00000 .00003 .00007 .00010 -3.12444 D162 .00935 -.00001 .00004 -.00025 -.00021 .00914 D163 -3.12468 .00001 .00011 .00079 .00090 -3.12377 D164 .00308 .00001 .00020 .00092 .00112 .00420 D165 -.00819 .00001 -.00005 .00009 .00004 -.00815 D166 3.11957 .00000 .00004 .00021 .00025 3.11982 D167 3.12612 -.00001 .00003 -.00017 -.00014 3.12598 D168 -.00631 .00000 .00001 .00022 .00023 -.00608 D169 -3.13333 .00001 -.00004 .00015 .00011 -3.13322 D170 -.00810 .00001 -.00003 .00034 .00031 -.00779 D171 .00083 .00000 -.00003 -.00016 -.00019 .00065 D172 3.12606 .00000 -.00001 .00003 .00002 3.12608 D173 .00373 .00000 .00001 -.00010 -.00009 .00363 D174 -3.13550 .00000 .00001 -.00005 -.00005 -3.13555 D175 .00460 .00000 -.00001 -.00007 -.00008 .00452 D176 -3.13934 .00000 -.00001 -.00011 -.00012 -3.13946 D177 3.10951 .00000 .00007 .00016 .00023 3.10974 D178 -.01038 .00000 -.00001 .00013 .00012 -.01026 D179 2.86432 .00004 .00036 .00195 .00230 2.86662 D180 .29780 -.00003 -.00038 -.00176 -.00214 .29566 D181 -.29971 .00004 .00044 .00197 .00241 -.29730 D182 -2.86623 -.00004 -.00030 -.00173 -.00203 -2.86826 D183 .00791 .00000 .00002 -.00003 .00000 .00790 D184 -3.11274 -.00001 .00001 -.00027 -.00026 -3.11300 D185 -3.11122 .00000 -.00006 -.00006 -.00012 -3.11134 D186 .05132 .00000 -.00007 -.00030 -.00038 .05094 D187 .00322 -.00001 .00000 -.00029 -.00028 .00294 D188 3.12472 .00000 .00002 -.00005 -.00004 3.12468 D189 .00310 .00000 .00003 .00012 .00015 .00325 D190 -3.12398 .00001 -.00006 -.00001 -.00007 -3.12405 Item Value Threshold Converged? Maximum Force .000369 .000450 YES RMS Force .000062 .000300 YES Maximum Displacement .019921 .001800 NO RMS Displacement .003598 .001200 NO Predicted change in Energy=-1.885763D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.184526 -.465447 -1.502448 2 8 0 2.584892 -.169158 -2.207384 3 15 0 3.785391 .917650 -1.986983 4 8 0 4.447665 .302757 -.603612 5 6 0 5.666055 -.369714 -.546312 6 6 0 5.555593 -1.556812 .401279 7 6 0 4.631034 -2.699176 -.038608 8 6 0 3.305496 -2.221406 .527273 9 6 0 3.757126 -1.643437 1.862283 10 7 0 2.817841 -.569391 2.317424 11 6 0 1.707086 -.962310 2.956784 12 6 0 .774229 -.055467 3.367754 13 6 0 .988468 1.290554 3.093707 14 6 0 2.107549 1.677098 2.384832 15 6 0 2.301741 3.141141 2.081651 16 7 0 2.927852 3.435942 .942054 17 8 0 1.908218 3.951531 2.885296 18 6 0 3.008755 .707735 1.993616 19 8 0 5.015965 -1.129331 1.667457 20 8 0 2.278096 -3.126756 .657638 21 8 0 4.989962 -3.903489 .590056 22 8 0 4.752136 .731352 -3.069287 23 8 0 3.214366 2.215828 -1.588184 24 8 0 .180680 .224980 -2.556538 25 6 0 -1.179784 -.108811 -2.596449 26 6 0 -2.016709 .974191 -1.932777 27 6 0 -1.974650 1.072128 -.402096 28 6 0 -3.338016 1.695241 -.107668 29 6 0 -4.225566 1.082164 -1.191662 30 7 0 -4.974230 -.087770 -.729900 31 6 0 -6.136508 -.069422 -.020845 32 7 0 -6.830753 .981437 .408156 33 6 0 -7.917672 .623444 1.047036 34 7 0 -8.369094 -.601767 1.299151 35 6 0 -7.655626 -1.633464 .870358 36 7 0 -8.084482 -2.887038 1.152763 37 6 0 -6.474716 -1.392653 .166024 38 7 0 -5.544924 -2.222316 -.424903 39 6 0 -4.689123 -1.413203 -.937323 40 8 0 -3.383013 .675118 -2.217838 41 8 0 -3.290633 3.073215 -.324994 42 8 0 -.984189 1.889191 .112750 43 8 0 1.095199 .250397 -.196189 44 8 0 .958174 -1.931424 -1.474748 45 1 0 6.425198 .305916 -.162991 46 1 0 5.979931 -.702214 -1.526971 47 1 0 6.550124 -1.937416 .602896 48 1 0 4.587486 -2.811706 -1.115300 49 1 0 3.011536 -1.386887 -.071417 50 1 0 3.754480 -2.381327 2.652238 51 1 0 1.604481 -2.016260 3.114186 52 1 0 -.104444 -.391917 3.881895 53 1 0 .289355 2.040146 3.409495 54 1 0 2.995211 4.409028 .737215 55 1 0 2.978728 2.825035 .131932 56 1 0 3.885259 .924243 1.424797 57 1 0 1.655269 -2.923429 -.051670 58 1 0 5.723815 -4.291705 .135506 59 1 0 -1.357172 -1.072494 -2.134746 60 1 0 -1.469464 -.177340 -3.637139 61 1 0 -1.759551 1.936518 -2.357051 62 1 0 -1.923762 .071971 .024433 63 1 0 -3.704618 1.475530 .888847 64 1 0 -4.945584 1.805251 -1.542626 65 1 0 -8.533397 1.423065 1.418566 66 1 0 -7.687344 -3.637945 .634727 67 1 0 -9.032967 -2.980327 1.437260 68 1 0 -3.826291 -1.706006 -1.494178 69 1 0 -2.419486 3.367374 -.079243 70 1 0 -.129714 1.445574 -.000928 --------------------------------------------------------------------- Rotational constants (GHZ): .1266193 .0375789 .0368130 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6577.3928404817 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -2921.32031540 A.U. after 9 cycles Convg = .7471D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000018302 -.000070903 .000075155 2 8 .000030251 .000067051 -.000026099 3 15 .000055380 -.000034331 .000002212 4 8 -.000023106 -.000033925 -.000055277 5 6 .000011146 .000023665 .000002369 6 6 -.000001018 .000017315 .000072654 7 6 -.000005749 .000016992 -.000031980 8 6 .000010456 -.000034636 .000031643 9 6 -.000044937 .000072565 .000009842 10 7 -.000064358 -.000156840 .000011042 11 6 .000051973 .000029239 -.000042118 12 6 -.000014463 .000037816 .000006919 13 6 -.000037111 -.000030314 .000041425 14 6 .000042360 -.000002569 -.000002138 15 6 -.000078204 -.000046737 -.000053685 16 7 .000152886 .000041972 .000058295 17 8 .000012496 .000016851 .000019696 18 6 .000016338 .000130607 .000021193 19 8 .000079314 -.000009860 -.000037485 20 8 .000041715 -.000005545 .000017611 21 8 -.000002241 -.000004659 -.000005040 22 8 -.000000741 -.000001457 .000003123 23 8 -.000009113 .000036417 -.000013633 24 8 .000013914 .000028069 .000036025 25 6 -.000044186 -.000021243 -.000021795 26 6 -.000016536 .000007115 -.000004395 27 6 .000002254 .000049754 -.000059293 28 6 -.000010589 .000008978 .000011308 29 6 .000016410 -.000045640 -.000065523 30 7 .000006828 -.000009918 .000080541 31 6 -.000023540 -.000040907 -.000020710 32 7 .000002955 .000017151 .000006330 33 6 -.000003823 .000000315 -.000001817 34 7 -.000005448 .000017703 .000002402 35 6 -.000015372 -.000079861 .000051473 36 7 -.000024363 .000043340 -.000083665 37 6 .000025871 .000026822 -.000006028 38 7 -.000014976 -.000008872 -.000010383 39 6 .000010318 .000020530 -.000016720 40 8 .000032335 .000033036 -.000017116 41 8 .000017174 -.000041468 .000045103 42 8 .000014646 -.000062595 .000011558 43 8 -.000051929 -.000004086 -.000070500 44 8 -.000012422 -.000012288 .000006020 45 1 .000000806 .000003161 -.000014729 46 1 -.000010568 -.000005722 -.000004201 47 1 .000001205 .000010572 -.000003841 48 1 .000007246 -.000011888 -.000000762 49 1 .000000903 .000008120 -.000008204 50 1 .000007612 -.000008538 -.000007983 51 1 -.000000460 -.000003007 .000005367 52 1 -.000001957 -.000001149 -.000004269 53 1 .000001143 -.000005723 -.000002000 54 1 -.000021384 .000009511 -.000001644 55 1 -.000065451 -.000041830 -.000034318 56 1 -.000038633 -.000014670 .000012145 57 1 -.000109001 -.000004821 -.000033174 58 1 .000003514 .000000092 .000003332 59 1 .000004454 .000003951 .000014302 60 1 -.000000621 -.000018232 .000002179 61 1 .000005575 .000000375 .000001353 62 1 -.000021521 -.000017439 .000038543 63 1 -.000022430 .000011285 -.000012996 64 1 -.000004904 -.000004350 -.000000330 65 1 -.000000543 .000000591 .000002363 66 1 .000015925 .000006311 .000025355 67 1 .000019447 .000004115 .000021635 68 1 -.000004914 -.000003181 -.000004035 69 1 .000008673 .000005014 -.000027350 70 1 .000064785 .000092804 .000054720 ------------------------------------------------------------------- Cartesian Forces: Max .000156840 RMS .000035828 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000229521 RMS .000029304 Search for a local minimum. Step number 18 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 Trust test= 9.99D-01 RLast= 1.66D-02 DXMaxT set to 8.66D-02 Eigenvalues --- .00112 .00312 .00576 .00644 .00778 Eigenvalues --- .00851 .01119 .01245 .01315 .01452 Eigenvalues --- .01565 .01595 .01625 .01860 .01979 Eigenvalues --- .02071 .02155 .02251 .02272 .02287 Eigenvalues --- .02309 .02313 .02340 .02389 .02414 Eigenvalues --- .02428 .02467 .02489 .02519 .02522 Eigenvalues --- .02582 .02683 .02718 .02758 .02853 Eigenvalues --- .02960 .03078 .03261 .03311 .03591 Eigenvalues --- .03798 .03930 .04021 .04053 .04417 Eigenvalues --- .04753 .04914 .04993 .05162 .05235 Eigenvalues --- .05487 .05702 .05765 .05807 .05910 Eigenvalues --- .05992 .06090 .06118 .06254 .06305 Eigenvalues --- .06538 .06742 .06943 .07136 .07390 Eigenvalues --- .07784 .07832 .08155 .08366 .08844 Eigenvalues --- .09043 .09343 .10113 .10617 .11183 Eigenvalues --- .11506 .11595 .13367 .14104 .14304 Eigenvalues --- .14779 .15715 .15811 .15997 .15999 Eigenvalues --- .16000 .16000 .16000 .16000 .16003 Eigenvalues --- .16010 .16020 .16035 .16154 .16292 Eigenvalues --- .16474 .16482 .17024 .17568 .17712 Eigenvalues --- .17870 .18470 .19201 .19640 .19864 Eigenvalues --- .20373 .21456 .21641 .22048 .22735 Eigenvalues --- .23148 .23489 .23577 .23630 .23868 Eigenvalues --- .24422 .24712 .24952 .24990 .24996 Eigenvalues --- .24997 .25035 .25505 .25634 .25992 Eigenvalues --- .26728 .27633 .28371 .28588 .29039 Eigenvalues --- .29783 .30032 .31453 .31839 .32092 Eigenvalues --- .33431 .35162 .35258 .35494 .35561 Eigenvalues --- .35584 .35682 .35714 .35749 .35755 Eigenvalues --- .35883 .36101 .36432 .36545 .36793 Eigenvalues --- .36903 .36959 .37158 .37354 .37558 Eigenvalues --- .37789 .39517 .39836 .40995 .41202 Eigenvalues --- .42901 .44670 .44821 .44872 .44933 Eigenvalues --- .45133 .45356 .45579 .45882 .46001 Eigenvalues --- .46297 .47417 .48299 .48604 .48685 Eigenvalues --- .48811 .48961 .49849 .50756 .51123 Eigenvalues --- .51195 .51526 .52560 .52728 .53852 Eigenvalues --- .55347 .55835 .56140 .57338 .57888 Eigenvalues --- .58244 .58470 .59087 .59915 .61541 Eigenvalues --- .62867 .68254 .79630 .81613 .86773 Eigenvalues --- .89884 .90248 1.01116 3.837381000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.84038668D-06. Quartic linear search produced a step of .00317. Iteration 1 RMS(Cart)= .00613200 RMS(Int)= .00000524 Iteration 2 RMS(Cart)= .00001692 RMS(Int)= .00000060 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000060 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01513 .00003 .00000 .00010 .00010 3.01523 R2 3.04446 -.00006 .00000 -.00005 -.00005 3.04441 R3 2.81989 -.00006 .00000 -.00011 -.00011 2.81978 R4 2.80361 .00001 .00000 -.00002 -.00002 2.80359 R5 3.08837 -.00003 .00000 -.00031 -.00031 3.08806 R6 3.12258 -.00004 .00000 -.00006 -.00006 3.12252 R7 2.76487 .00000 .00000 -.00003 -.00003 2.76485 R8 2.78398 .00003 .00000 .00012 .00012 2.78410 R9 2.63207 -.00005 .00000 -.00008 -.00008 2.63199 R10 2.87793 .00004 .00000 .00019 .00019 2.87812 R11 2.05252 .00000 .00000 -.00001 -.00001 2.05251 R12 2.04472 .00000 .00000 .00003 .00003 2.04475 R13 2.89893 .00004 .00000 -.00003 -.00003 2.89890 R14 2.72353 .00000 .00000 -.00014 -.00014 2.72339 R15 2.04807 .00000 .00000 .00000 .00000 2.04806 R16 2.86936 .00004 .00000 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-.00311 -.00312 -2.80615 D153 .30757 -.00002 -.00001 -.00415 -.00416 .30341 D154 -.71039 .00000 -.00001 -.00312 -.00313 -.71352 D155 2.40021 -.00001 -.00001 -.00415 -.00417 2.39605 D156 -.01433 .00001 .00000 .00037 .00037 -.01396 D157 -2.14445 .00001 .00000 .00063 .00063 -2.14381 D158 2.08931 .00000 .00000 .00052 .00052 2.08983 D159 -.00813 -.00001 .00000 -.00086 -.00086 -.00899 D160 3.12545 .00000 .00000 -.00064 -.00064 3.12481 D161 -3.12444 .00000 .00000 -.00001 -.00001 -3.12445 D162 .00914 .00001 .00000 .00021 .00021 .00935 D163 -3.12377 .00001 .00000 .00091 .00092 -3.12286 D164 .00420 .00000 .00000 .00064 .00064 .00484 D165 -.00815 .00000 .00000 .00004 .00004 -.00811 D166 3.11982 -.00001 .00000 -.00023 -.00023 3.11959 D167 3.12598 .00001 .00000 .00035 .00035 3.12633 D168 -.00608 .00000 .00000 .00008 .00008 -.00600 D169 -3.13322 -.00001 .00000 -.00028 -.00028 -3.13350 D170 -.00779 -.00001 .00000 -.00039 -.00039 -.00818 D171 .00065 .00000 .00000 -.00006 -.00006 .00059 D172 3.12608 .00000 .00000 -.00018 -.00018 3.12590 D173 .00363 .00000 .00000 -.00005 -.00005 .00358 D174 -3.13555 .00000 .00000 .00001 .00001 -3.13554 D175 .00452 .00000 .00000 .00000 .00000 .00452 D176 -3.13946 .00000 .00000 -.00006 -.00006 -3.13951 D177 3.10974 .00000 .00000 .00033 .00033 3.11007 D178 -.01026 .00000 .00000 .00003 .00003 -.01023 D179 2.86662 .00002 .00001 .00154 .00155 2.86817 D180 .29566 -.00002 -.00001 -.00172 -.00173 .29393 D181 -.29730 .00002 .00001 .00185 .00186 -.29544 D182 -2.86826 -.00002 -.00001 -.00141 -.00142 -2.86968 D183 .00790 .00000 .00000 .00000 .00000 .00790 D184 -3.11300 .00000 .00000 .00015 .00015 -3.11285 D185 -3.11134 .00000 .00000 -.00031 -.00031 -3.11165 D186 .05094 .00000 .00000 -.00016 -.00016 .05078 D187 .00294 .00001 .00000 .00041 .00041 .00335 D188 3.12468 .00000 .00000 .00027 .00027 3.12495 D189 .00325 .00000 .00000 -.00028 -.00028 .00298 D190 -3.12405 .00000 .00000 .00001 .00001 -3.12404 Item Value Threshold Converged? Maximum Force .000230 .000450 YES RMS Force .000029 .000300 YES Maximum Displacement .024459 .001800 NO RMS Displacement .006139 .001200 NO Predicted change in Energy=-9.191606D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.185763 -.468789 -1.504205 2 8 0 2.586286 -.165890 -2.206129 3 15 0 3.782763 .924325 -1.981948 4 8 0 4.445860 .307887 -.599695 5 6 0 5.665964 -.361441 -.543081 6 6 0 5.558327 -1.549990 .403175 7 6 0 4.638015 -2.694778 -.039251 8 6 0 3.310051 -2.221303 .524581 9 6 0 3.757604 -1.643249 1.860986 10 7 0 2.814719 -.571959 2.315134 11 6 0 1.701956 -.968421 2.948695 12 6 0 .765957 -.064188 3.358484 13 6 0 .979101 1.282857 3.089080 14 6 0 2.100673 1.673184 2.386012 15 6 0 2.293921 3.138346 2.087661 16 7 0 2.924391 3.436818 .951212 17 8 0 1.896299 3.946073 2.891864 18 6 0 3.005062 .706465 1.996018 19 8 0 5.015674 -1.125949 1.669134 20 8 0 2.284941 -3.129762 .652071 21 8 0 4.999349 -3.898472 .589189 22 8 0 4.751028 .744496 -3.063969 23 8 0 3.207006 2.219519 -1.580029 24 8 0 .181773 .220906 -2.558600 25 6 0 -1.178622 -.113222 -2.597192 26 6 0 -2.015073 .971045 -1.935099 27 6 0 -1.973915 1.070872 -.404498 28 6 0 -3.337121 1.695138 -.111801 29 6 0 -4.224286 1.080784 -1.195343 30 7 0 -4.973102 -.088612 -.732103 31 6 0 -6.133842 -.069310 -.020539 32 7 0 -6.825724 .982142 .410879 33 6 0 -7.911544 .625061 1.052128 34 7 0 -8.363937 -.599756 1.304432 35 6 0 -7.652839 -1.632074 .873137 36 7 0 -8.082746 -2.885190 1.155270 37 6 0 -6.473291 -1.392230 .166124 38 7 0 -5.546079 -2.222627 -.427799 39 6 0 -4.690235 -1.414216 -.941303 40 8 0 -3.381403 .672229 -2.220617 41 8 0 -3.288799 3.072702 -.331197 42 8 0 -.983375 1.887963 .110317 43 8 0 1.091173 .243784 -.196593 44 8 0 .964368 -1.935581 -1.480355 45 1 0 6.423410 .315704 -.159088 46 1 0 5.980765 -.692128 -1.524074 47 1 0 6.553853 -1.927548 .605597 48 1 0 4.596743 -2.806680 -1.116105 49 1 0 3.014801 -1.387153 -.073930 50 1 0 3.755275 -2.381844 2.650277 51 1 0 1.600320 -2.022996 3.102503 52 1 0 -.114293 -.403551 3.867993 53 1 0 .277412 2.030466 3.403823 54 1 0 2.990261 4.410582 .749014 55 1 0 2.975896 2.828196 .139260 56 1 0 3.883709 .925991 1.431779 57 1 0 1.662378 -2.927103 -.057736 58 1 0 5.735145 -4.284226 .135689 59 1 0 -1.355720 -1.076062 -2.133540 60 1 0 -1.468952 -.183852 -3.637564 61 1 0 -1.757190 1.932678 -2.360498 62 1 0 -1.924121 .071264 .023452 63 1 0 -3.704433 1.477139 .884814 64 1 0 -4.944108 1.803418 -1.547643 65 1 0 -8.525369 1.425193 1.425706 66 1 0 -7.687098 -3.636604 .636896 67 1 0 -9.030209 -2.977815 1.443248 68 1 0 -3.829102 -1.707647 -1.500443 69 1 0 -2.417586 3.366768 -.085548 70 1 0 -.128933 1.443828 -.001720 --------------------------------------------------------------------- Rotational constants (GHZ): .1266858 .0375986 .0368339 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6578.2865281977 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32031643 A.U. after 9 cycles Convg = .9530D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000034562 .000003299 .000023867 2 8 -.000023986 .000001721 -.000035755 3 15 .000063214 .000008408 .000032274 4 8 -.000023965 -.000000620 -.000052465 5 6 .000021981 .000000792 -.000001541 6 6 -.000003396 .000016688 .000033467 7 6 -.000019997 .000012819 -.000029878 8 6 -.000030287 -.000071695 .000013921 9 6 -.000014460 .000050926 .000007585 10 7 -.000057614 -.000118285 .000026936 11 6 .000055934 .000031047 -.000036758 12 6 .000000708 .000024190 .000007822 13 6 .000004507 -.000017364 .000012940 14 6 -.000035825 .000033917 .000038197 15 6 -.000027497 -.000076280 -.000082542 16 7 .000082623 .000008184 .000074041 17 8 .000005878 .000038337 .000045428 18 6 .000036291 .000088318 .000002728 19 8 .000026797 -.000007252 -.000012960 20 8 .000059515 .000014180 .000024899 21 8 -.000002947 -.000009267 -.000002643 22 8 .000008295 -.000014966 .000007884 23 8 .000011018 .000001448 -.000030597 24 8 .000025068 -.000012073 -.000025933 25 6 .000003307 .000001899 .000019009 26 6 -.000040324 -.000023508 -.000025284 27 6 .000031763 .000021942 .000006445 28 6 .000017183 .000003717 .000016775 29 6 .000003647 -.000069098 -.000049633 30 7 .000016415 .000030525 .000061018 31 6 .000002315 -.000038116 .000009654 32 7 .000002352 .000016304 .000010061 33 6 -.000004802 -.000002492 -.000011207 34 7 .000000242 .000010098 .000010554 35 6 -.000021820 -.000044148 .000002593 36 7 -.000005150 .000024569 -.000031771 37 6 -.000001348 .000026020 -.000035044 38 7 .000024379 -.000012666 .000042169 39 6 -.000023202 .000002878 -.000058474 40 8 .000013638 .000080972 .000021774 41 8 -.000007317 .000003711 .000024372 42 8 -.000005070 -.000015274 .000018301 43 8 .000032108 -.000042415 -.000012840 44 8 .000028572 .000005078 .000021666 45 1 -.000001612 .000001730 -.000002718 46 1 -.000005175 .000000528 -.000001923 47 1 -.000001576 .000009629 -.000005333 48 1 .000007990 -.000008828 .000001813 49 1 .000007452 .000019847 -.000015546 50 1 .000006337 -.000006644 -.000001279 51 1 -.000002883 -.000004843 .000004703 52 1 -.000002366 .000000133 -.000007025 53 1 -.000004803 -.000006652 .000006164 54 1 -.000012857 .000002549 -.000010656 55 1 -.000038866 .000008892 -.000013679 56 1 -.000031439 -.000003250 .000010474 57 1 -.000061511 -.000004526 -.000019417 58 1 .000006075 .000000937 .000003525 59 1 -.000005393 .000008773 .000010945 60 1 .000003471 -.000007161 .000003870 61 1 .000002026 -.000004966 .000001459 62 1 .000001031 -.000016183 .000003079 63 1 -.000018856 .000013010 -.000008746 64 1 -.000006147 .000000743 -.000001634 65 1 .000001463 .000000059 .000003833 66 1 .000007572 .000001827 .000010194 67 1 .000007986 .000001652 .000010808 68 1 -.000003880 -.000001964 .000004121 69 1 .000002569 -.000004402 -.000019498 70 1 -.000050790 .000012640 -.000048586 ------------------------------------------------------------------- Cartesian Forces: Max .000118285 RMS .000027660 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000277239 RMS .000039426 Search for a local minimum. Step number 19 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 19 Trust test= 1.12D+00 RLast= 1.88D-02 DXMaxT set to 8.66D-02 Eigenvalues --- .00101 .00296 .00544 .00578 .00776 Eigenvalues --- .00845 .01114 .01240 .01305 .01405 Eigenvalues --- .01567 .01609 .01626 .01859 .01984 Eigenvalues --- .02061 .02154 .02241 .02272 .02281 Eigenvalues --- .02310 .02312 .02346 .02391 .02412 Eigenvalues --- .02448 .02474 .02502 .02520 .02533 Eigenvalues --- .02601 .02668 .02722 .02762 .02860 Eigenvalues --- .02966 .03070 .03252 .03313 .03580 Eigenvalues --- .03835 .03931 .04024 .04078 .04409 Eigenvalues --- .04731 .04913 .04996 .05159 .05239 Eigenvalues --- .05499 .05705 .05761 .05834 .05911 Eigenvalues --- .05989 .06065 .06125 .06248 .06324 Eigenvalues --- .06526 .06750 .07040 .07151 .07380 Eigenvalues --- .07786 .07858 .08151 .08367 .08839 Eigenvalues --- .09061 .09365 .10112 .10623 .11179 Eigenvalues --- .11497 .11593 .13368 .14122 .14328 Eigenvalues --- .14801 .15757 .15920 .15997 .15999 Eigenvalues --- .16000 .16000 .16000 .16001 .16006 Eigenvalues --- .16012 .16024 .16035 .16209 .16302 Eigenvalues --- .16475 .16549 .17084 .17678 .17797 Eigenvalues --- .18062 .18482 .19207 .19608 .19867 Eigenvalues --- .20446 .21462 .21825 .22053 .22850 Eigenvalues --- .23149 .23492 .23548 .23631 .23912 Eigenvalues --- .24591 .24716 .24983 .24991 .24997 Eigenvalues --- .24999 .25038 .25536 .25614 .26578 Eigenvalues --- .26905 .27871 .28378 .28596 .29018 Eigenvalues --- .29873 .30287 .31560 .31973 .32204 Eigenvalues --- .34557 .35249 .35333 .35497 .35562 Eigenvalues --- .35589 .35682 .35716 .35751 .35761 Eigenvalues --- .35884 .36103 .36524 .36546 .36856 Eigenvalues --- .36913 .36959 .37162 .37353 .37569 Eigenvalues --- .37851 .39549 .40202 .41096 .41297 Eigenvalues --- .43605 .44673 .44817 .44876 .44905 Eigenvalues --- .45273 .45364 .45612 .45947 .45995 Eigenvalues --- .46303 .47366 .48283 .48440 .48638 Eigenvalues --- .48693 .48964 .49867 .51121 .51182 Eigenvalues --- .51332 .51761 .52592 .53596 .54321 Eigenvalues --- .55419 .55835 .56064 .57343 .57887 Eigenvalues --- .58231 .58468 .59367 .59956 .60644 Eigenvalues --- .62838 .68256 .79518 .81560 .86563 Eigenvalues --- .88932 .90252 1.01522 3.749941000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-8.42373899D-07. Quartic linear search produced a step of .10010. Iteration 1 RMS(Cart)= .00228200 RMS(Int)= .00000091 Iteration 2 RMS(Cart)= .00000241 RMS(Int)= .00000023 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000023 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01523 .00001 .00001 .00005 .00006 3.01529 R2 3.04441 .00002 .00000 .00004 .00003 3.04444 R3 2.81978 -.00002 -.00001 -.00005 -.00006 2.81973 R4 2.80359 .00000 .00000 -.00001 -.00002 2.80358 R5 3.08806 .00004 -.00003 -.00002 -.00005 3.08801 R6 3.12252 -.00003 -.00001 -.00008 -.00009 3.12243 R7 2.76485 .00000 .00000 -.00001 -.00001 2.76484 R8 2.78410 -.00001 .00001 .00005 .00006 2.78416 R9 2.63199 -.00005 -.00001 -.00003 -.00004 2.63195 R10 2.87812 .00003 .00002 .00007 .00009 2.87820 R11 2.05251 .00000 .00000 .00000 -.00001 2.05250 R12 2.04475 .00000 .00000 .00001 .00002 2.04477 R13 2.89890 .00001 .00000 .00005 .00005 2.89895 R14 2.72339 .00002 -.00001 -.00012 -.00014 2.72326 R15 2.04806 -.00001 .00000 -.00001 -.00001 2.04806 R16 2.86938 .00005 .00000 .00001 .00001 2.86939 R17 2.65530 .00001 .00000 .00001 .00001 2.65531 R18 2.04740 .00000 .00000 .00000 .00000 2.04740 R19 2.87861 .00006 .00001 .00005 .00006 2.87867 R20 2.59959 -.00001 .00001 .00000 .00001 2.59961 R21 2.01873 .00002 -.00001 .00002 .00001 2.01874 R22 2.83014 .00005 .00000 -.00011 -.00011 2.83003 R23 2.59598 .00004 .00001 .00009 .00010 2.59608 R24 2.04275 .00000 .00000 .00001 .00001 2.04275 R25 2.53309 -.00004 -.00001 -.00011 -.00012 2.53297 R26 2.51584 .00009 .00001 .00013 .00013 2.51598 R27 2.57839 .00000 .00001 .00008 .00009 2.57849 R28 2.02308 .00001 .00000 .00001 .00001 2.02309 R29 2.62702 -.00004 -.00002 -.00009 -.00011 2.62691 R30 2.02616 .00000 .00000 .00000 .00000 2.02615 R31 2.60795 -.00001 .00002 .00010 .00012 2.60807 R32 2.02681 .00000 .00000 .00000 .00000 2.02681 R33 2.84908 -.00002 .00000 -.00004 -.00004 2.84903 R34 2.60793 .00005 -.00002 -.00011 -.00014 2.60780 R35 2.51986 -.00002 .00003 .00017 .00021 2.52007 R36 2.28123 .00005 -.00001 -.00003 -.00005 2.28118 R37 1.88352 .00000 .00000 .00002 .00003 1.88354 R38 1.92004 .00000 .00002 .00006 .00008 1.92012 R39 2.01642 -.00003 -.00001 -.00005 -.00006 2.01636 R40 1.82482 .00006 .00001 .00007 .00008 1.82490 R41 1.78863 .00000 .00000 .00000 .00000 1.78863 R42 2.64818 .00004 .00000 .00008 .00007 2.64825 R43 2.87440 .00001 -.00001 .00001 .00000 2.87440 R44 2.04702 .00000 .00001 .00001 .00002 2.04704 R45 2.04550 .00000 .00000 .00000 .00000 2.04549 R46 2.89961 -.00003 .00000 -.00003 -.00003 2.89958 R47 2.69753 -.00002 .00001 .00003 .00004 2.69757 R48 2.04598 .00000 .00000 -.00001 -.00001 2.04597 R49 2.88684 .00000 .00000 .00000 .00000 2.88684 R50 2.61428 -.00005 .00001 -.00004 -.00002 2.61426 R51 2.05697 .00002 .00000 .00001 .00001 2.05698 R52 2.88983 .00001 -.00001 .00000 .00000 2.88983 R53 2.63761 .00000 -.00001 -.00004 -.00005 2.63756 R54 2.04901 .00000 .00000 -.00002 -.00002 2.04898 R55 2.76624 .00000 .00002 .00010 .00013 2.76637 R56 2.62431 -.00002 .00000 -.00008 -.00009 2.62422 R57 2.03921 .00001 .00000 .00001 .00001 2.03922 R58 2.57309 .00000 .00000 .00001 .00001 2.57310 R59 2.59175 .00001 -.00001 -.00003 -.00003 2.59172 R60 2.51438 .00001 .00000 .00003 .00003 2.51441 R61 2.60494 -.00001 .00000 -.00003 -.00004 2.60490 R62 2.47670 .00000 .00000 .00000 .00000 2.47670 R63 2.51305 .00000 .00000 .00000 .00000 2.51305 R64 2.03227 .00000 .00000 .00000 .00000 2.03227 R65 2.50512 .00001 .00000 .00002 .00003 2.50515 R66 2.55967 -.00003 -.00003 -.00016 -.00018 2.55949 R67 2.63800 .00001 .00001 .00004 .00005 2.63805 R68 1.88013 .00000 -.00001 -.00003 -.00004 1.88009 R69 1.87949 .00000 -.00001 -.00003 -.00004 1.87945 R70 2.60620 .00000 .00000 -.00001 -.00001 2.60619 R71 2.42716 .00000 .00000 .00002 .00003 2.42719 R72 2.01793 .00000 .00000 -.00001 -.00001 2.01792 R73 1.79855 .00000 .00000 .00000 .00000 1.79855 R74 1.83204 -.00003 .00000 -.00003 -.00003 1.83201 R75 3.25491 .00002 -.00001 .00045 .00044 3.25535 R76 3.53241 .00001 -.00005 -.00022 -.00027 3.53214 A1 1.74957 .00001 -.00004 .00001 -.00003 1.74954 A2 1.92889 -.00002 .00003 .00004 .00007 1.92896 A3 1.90259 -.00003 .00001 -.00002 -.00001 1.90258 A4 1.90667 .00005 -.00003 .00003 .00000 1.90667 A5 1.91854 .00002 .00002 .00007 .00009 1.91863 A6 2.03598 -.00003 .00001 -.00010 -.00010 2.03588 A7 2.35883 .00003 .00005 .00009 .00014 2.35897 A8 1.73118 -.00012 -.00002 -.00014 -.00015 1.73102 A9 1.87664 -.00001 .00002 .00005 .00007 1.87671 A10 1.91537 .00006 .00000 .00006 .00007 1.91544 A11 1.88306 -.00002 .00001 -.00001 .00000 1.88306 A12 1.83029 .00007 .00000 .00003 .00003 1.83032 A13 2.17539 -.00001 -.00001 -.00003 -.00004 2.17535 A14 2.17102 -.00028 .00002 -.00002 .00000 2.17102 A15 1.91598 .00015 -.00001 -.00005 -.00006 1.91592 A16 1.90252 .00001 .00001 .00005 .00006 1.90258 A17 1.94430 -.00010 .00001 .00001 .00002 1.94432 A18 1.89247 .00001 .00002 .00011 .00013 1.89260 A19 1.92340 -.00007 -.00001 -.00008 -.00009 1.92331 A20 1.88406 .00001 -.00001 -.00003 -.00004 1.88402 A21 2.03262 -.00011 -.00002 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Maximum Force .000277 .000450 YES RMS Force .000039 .000300 YES Maximum Displacement .010070 .001800 NO RMS Displacement .002283 .001200 NO Predicted change in Energy=-4.357572D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.185915 -.469871 -1.504885 2 8 0 2.586416 -.164892 -2.206020 3 15 0 3.781740 .926301 -1.980642 4 8 0 4.444905 .309210 -.598768 5 6 0 5.665534 -.359135 -.542374 6 6 0 5.558821 -1.547978 .403690 7 6 0 4.639869 -2.693633 -.039409 8 6 0 3.311140 -2.221544 .523792 9 6 0 3.757467 -1.643257 1.860542 10 7 0 2.813561 -.572823 2.314399 11 6 0 1.700364 -.970168 2.946506 12 6 0 .763684 -.066567 3.356296 13 6 0 .976639 1.280748 3.088389 14 6 0 2.098860 1.672078 2.386784 15 6 0 2.292321 3.137533 2.090126 16 7 0 2.924849 3.437060 .954971 17 8 0 1.893684 3.944467 2.894585 18 6 0 3.003873 .706051 1.996778 19 8 0 5.015276 -1.124881 1.669499 20 8 0 2.286860 -3.131039 .650634 21 8 0 5.002039 -3.897056 .589080 22 8 0 4.750538 .748352 -3.062491 23 8 0 3.204681 2.220654 -1.577771 24 8 0 .181585 .219021 -2.559509 25 6 0 -1.178840 -.115246 -2.597208 26 6 0 -2.015089 .969968 -1.936418 27 6 0 -1.974431 1.070974 -.405897 28 6 0 -3.337478 1.696000 -.114081 29 6 0 -4.224473 1.080815 -1.197289 30 7 0 -4.972895 -.088587 -.733214 31 6 0 -6.132596 -.069258 -.019951 32 7 0 -6.823279 .982227 .413352 33 6 0 -7.908316 .625186 1.055945 34 7 0 -8.360939 -.599598 1.308015 35 6 0 -7.651031 -1.631955 .874815 36 7 0 -8.081130 -2.884995 1.156528 37 6 0 -6.472432 -1.392137 .166160 38 7 0 -5.546473 -2.222551 -.429684 39 6 0 -4.691209 -1.414142 -.944189 40 8 0 -3.381516 .671796 -2.222254 41 8 0 -3.288602 3.073326 -.334682 42 8 0 -.983682 1.888041 .108520 43 8 0 1.089708 .241962 -.197022 44 8 0 .966439 -1.936953 -1.481676 45 1 0 6.422531 .318544 -.158444 46 1 0 5.980483 -.689503 -1.523437 47 1 0 6.554680 -1.924509 .606376 48 1 0 4.599317 -2.805483 -1.116293 49 1 0 3.015415 -1.387617 -.074807 50 1 0 3.755407 -2.382040 2.649663 51 1 0 1.598895 -2.024917 3.099270 52 1 0 -.116938 -.406722 3.864628 53 1 0 .274433 2.027861 3.403153 54 1 0 2.990415 4.411063 .753765 55 1 0 2.975612 2.829482 .142136 56 1 0 3.883070 .926378 1.433768 57 1 0 1.664246 -2.928637 -.059260 58 1 0 5.738565 -4.281960 .136043 59 1 0 -1.355849 -1.077408 -2.132089 60 1 0 -1.469473 -.187449 -3.637386 61 1 0 -1.756476 1.931090 -2.362512 62 1 0 -1.925174 .071677 .022855 63 1 0 -3.705208 1.479055 .882594 64 1 0 -4.944483 1.803023 -1.550094 65 1 0 -8.521139 1.425331 1.431135 66 1 0 -7.686171 -3.636476 .637765 67 1 0 -9.027883 -2.977620 1.446764 68 1 0 -3.831113 -1.707556 -1.504924 69 1 0 -2.417112 3.367222 -.089808 70 1 0 -.129465 1.443516 -.003555 --------------------------------------------------------------------- Rotational constants (GHZ): .1266716 .0376057 .0368426 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6578.3850656698 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -2921.32031700 A.U. after 8 cycles Convg = .9027D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000002256 -.000004656 .000038953 2 8 -.000071107 -.000000125 -.000059981 3 15 .000047056 .000034200 .000054277 4 8 -.000014895 .000007779 -.000026326 5 6 .000023982 -.000018361 -.000003839 6 6 .000003855 .000010797 -.000007862 7 6 -.000010469 .000007691 -.000012469 8 6 -.000021860 -.000051847 .000009885 9 6 .000026824 .000028375 -.000004591 10 7 -.000036094 -.000036292 .000029782 11 6 .000030501 .000025102 -.000024426 12 6 .000001319 .000001175 .000005352 13 6 .000031191 .000000929 -.000010202 14 6 -.000081889 .000040588 .000041764 15 6 .000018709 -.000077689 -.000039926 16 7 .000018094 -.000003536 .000025163 17 8 -.000005464 .000035517 .000024662 18 6 .000042650 .000016227 .000005897 19 8 -.000012218 -.000013488 .000004895 20 8 .000033379 .000025164 .000001483 21 8 -.000001337 -.000010363 -.000000417 22 8 .000007963 -.000016448 -.000005003 23 8 .000014050 -.000015584 -.000022621 24 8 .000006936 -.000021031 -.000025401 25 6 .000013133 -.000001430 .000011123 26 6 -.000037866 -.000006838 -.000024226 27 6 .000009548 .000018521 .000026692 28 6 .000017587 -.000024439 .000018069 29 6 -.000006124 -.000062847 -.000028072 30 7 -.000009663 .000048790 .000015741 31 6 .000010343 -.000030158 .000018680 32 7 -.000002148 .000010991 .000002543 33 6 .000003120 -.000002511 .000003021 34 7 -.000002193 .000005449 .000001212 35 6 -.000009702 -.000017821 -.000003622 36 7 .000003090 .000010395 -.000006364 37 6 .000004129 .000017435 .000001198 38 7 -.000015777 -.000001435 -.000029256 39 6 .000027908 -.000018793 .000021806 40 8 .000032341 .000072155 -.000000597 41 8 -.000014214 .000018810 -.000002611 42 8 .000003705 -.000025455 .000001878 43 8 .000015826 -.000012011 -.000001286 44 8 .000011111 -.000006169 -.000003409 45 1 -.000001515 -.000000360 .000006398 46 1 -.000002734 .000006903 .000000885 47 1 -.000000143 .000003305 -.000006924 48 1 .000004862 -.000002825 .000000898 49 1 .000002578 .000013658 -.000007170 50 1 -.000002724 -.000000362 .000001509 51 1 -.000004116 -.000003508 .000001142 52 1 -.000003418 .000001424 -.000005518 53 1 -.000007161 -.000005912 .000007615 54 1 -.000002232 .000001274 -.000011259 55 1 -.000012155 .000018791 .000002985 56 1 -.000023277 .000001292 .000002638 57 1 -.000023940 -.000004019 .000002330 58 1 .000006089 .000002860 .000003102 59 1 .000004918 .000003343 .000007666 60 1 .000003545 -.000000826 .000002444 61 1 -.000000655 -.000004604 -.000001808 62 1 .000001944 -.000008428 -.000000092 63 1 -.000009012 .000009051 -.000004176 64 1 -.000001749 .000001441 -.000008760 65 1 -.000000495 .000000196 -.000000325 66 1 .000001830 -.000000750 .000002020 67 1 .000001523 .000000394 .000003498 68 1 -.000008573 -.000000221 .000004044 69 1 -.000003078 -.000008133 -.000007804 70 1 -.000023387 .000019252 -.000016910 ------------------------------------------------------------------- Cartesian Forces: Max .000081889 RMS .000020490 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000128612 RMS .000021246 Search for a local minimum. Step number 20 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 19 20 Trust test= 1.31D+00 RLast= 1.06D-02 DXMaxT set to 8.66D-02 Eigenvalues --- .00097 .00267 .00439 .00578 .00781 Eigenvalues --- .00824 .01116 .01267 .01348 .01372 Eigenvalues --- .01574 .01614 .01630 .01861 .01979 Eigenvalues --- .02048 .02147 .02250 .02280 .02280 Eigenvalues --- .02311 .02323 .02355 .02394 .02415 Eigenvalues --- .02457 .02491 .02513 .02523 .02569 Eigenvalues --- .02633 .02705 .02752 .02836 .02920 Eigenvalues --- .03015 .03104 .03242 .03462 .03562 Eigenvalues --- .03828 .03935 .04025 .04079 .04414 Eigenvalues --- .04763 .04918 .05003 .05174 .05241 Eigenvalues --- .05476 .05701 .05759 .05879 .05912 Eigenvalues --- .06007 .06034 .06128 .06250 .06344 Eigenvalues --- .06534 .06752 .07031 .07158 .07358 Eigenvalues --- .07791 .07840 .08169 .08363 .08826 Eigenvalues --- .09061 .09300 .10173 .10640 .11139 Eigenvalues --- .11489 .11599 .13371 .14167 .14363 Eigenvalues --- .14813 .15757 .15953 .15997 .15999 Eigenvalues --- .16000 .16000 .16000 .16001 .16002 Eigenvalues --- .16012 .16021 .16070 .16226 .16319 Eigenvalues --- .16518 .16666 .17163 .17684 .17777 Eigenvalues --- .18064 .18582 .19220 .19550 .19888 Eigenvalues --- .20433 .21465 .21867 .22054 .22982 Eigenvalues --- .23152 .23495 .23526 .23639 .23993 Eigenvalues --- .24623 .24766 .24939 .24991 .24996 Eigenvalues --- .25000 .25046 .25514 .25643 .26478 Eigenvalues --- .26986 .27840 .28378 .28583 .29032 Eigenvalues --- .29835 .30252 .31589 .32030 .32249 Eigenvalues --- .34686 .35253 .35437 .35507 .35562 Eigenvalues --- .35594 .35680 .35714 .35753 .35773 Eigenvalues --- .35881 .36103 .36544 .36581 .36833 Eigenvalues --- .36906 .36959 .37155 .37378 .37597 Eigenvalues --- .37852 .39346 .39822 .41113 .41396 Eigenvalues --- .43213 .44600 .44806 .44843 .44902 Eigenvalues --- .45193 .45382 .45654 .45988 .46071 Eigenvalues --- .46343 .47379 .48265 .48576 .48671 Eigenvalues --- .48742 .48989 .49896 .51132 .51154 Eigenvalues --- .51524 .52320 .52595 .53575 .54657 Eigenvalues --- .55549 .55795 .55979 .57360 .57827 Eigenvalues --- .57888 .58225 .58480 .59921 .61334 Eigenvalues --- .62873 .68283 .79586 .81466 .86470 Eigenvalues --- .87497 .90299 1.01325 3.657661000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-6.73516957D-07. Quartic linear search produced a step of .71114. Iteration 1 RMS(Cart)= .00622131 RMS(Int)= .00000444 Iteration 2 RMS(Cart)= .00001219 RMS(Int)= .00000058 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000058 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01529 -.00001 .00004 .00001 .00006 3.01534 R2 3.04444 .00000 .00002 .00001 .00003 3.04448 R3 2.81973 .00000 -.00004 -.00002 -.00006 2.81967 R4 2.80358 .00001 -.00001 -.00001 -.00002 2.80356 R5 3.08801 .00005 -.00004 .00006 .00002 3.08803 R6 3.12243 -.00001 -.00006 -.00006 -.00012 3.12232 R7 2.76484 .00001 -.00001 .00001 .00000 2.76484 R8 2.78416 -.00002 .00004 .00002 .00006 2.78422 R9 2.63195 -.00002 -.00003 .00000 -.00002 2.63192 R10 2.87820 .00000 .00006 .00005 .00011 2.87831 R11 2.05250 .00000 .00000 .00000 -.00001 2.05250 R12 2.04477 .00000 .00001 .00000 .00001 2.04478 R13 2.89895 .00000 .00003 .00001 .00004 2.89899 R14 2.72326 .00003 -.00010 -.00001 -.00011 2.72315 R15 2.04806 .00000 .00000 .00000 .00000 2.04806 R16 2.86939 .00003 .00001 .00001 .00001 2.86940 R17 2.65531 .00001 .00001 .00001 .00002 2.65533 R18 2.04740 .00000 .00000 .00000 -.00001 2.04739 R19 2.87867 .00003 .00004 .00003 .00007 2.87874 R20 2.59961 -.00002 .00001 -.00004 -.00003 2.59958 R21 2.01874 .00001 .00001 .00000 .00001 2.01875 R22 2.83003 .00005 -.00008 .00002 -.00005 2.82998 R23 2.59608 .00000 .00007 .00003 .00010 2.59619 R24 2.04275 .00000 .00000 .00000 .00001 2.04276 R25 2.53297 -.00003 -.00009 -.00010 -.00019 2.53279 R26 2.51598 .00003 .00009 .00006 .00015 2.51613 R27 2.57849 .00000 .00007 .00008 .00014 2.57863 R28 2.02309 .00000 .00001 .00001 .00002 2.02311 R29 2.62691 -.00002 -.00008 -.00009 -.00017 2.62674 R30 2.02615 .00000 .00000 .00000 .00000 2.02615 R31 2.60807 -.00003 .00009 .00005 .00013 2.60821 R32 2.02681 .00000 .00000 .00000 .00000 2.02681 R33 2.84903 -.00002 -.00003 -.00010 -.00013 2.84891 R34 2.60780 .00005 -.00010 -.00005 -.00015 2.60765 R35 2.52007 -.00001 .00015 .00018 .00033 2.52039 R36 2.28118 .00004 -.00003 -.00003 -.00007 2.28111 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Maximum Force .000129 .000450 YES RMS Force .000021 .000300 YES Maximum Displacement .024155 .001800 NO RMS Displacement .006225 .001200 NO Predicted change in Energy=-3.083051D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.187642 -.469647 -1.507761 2 8 0 2.587928 -.157203 -2.206101 3 15 0 3.779528 .936905 -1.975130 4 8 0 4.443118 .316371 -.595077 5 6 0 5.665581 -.348699 -.540038 6 6 0 5.561689 -1.540695 .402458 7 6 0 4.646956 -2.687981 -.045201 8 6 0 3.316017 -2.221654 .517599 9 6 0 3.758821 -1.646084 1.856733 10 7 0 2.811002 -.580062 2.312724 11 6 0 1.697478 -.982891 2.940559 12 6 0 .757416 -.083463 3.352037 13 6 0 .967266 1.265434 3.090170 14 6 0 2.090109 1.662622 2.392725 15 6 0 2.280693 3.129600 2.102136 16 7 0 2.916390 3.434734 .970045 17 8 0 1.877763 3.932635 2.908301 18 6 0 2.998661 .700736 2.000996 19 8 0 5.015389 -1.123386 1.668939 20 8 0 2.294252 -3.134528 .640227 21 8 0 5.012088 -3.892062 .580327 22 8 0 4.750018 .766372 -3.056656 23 8 0 3.198018 2.227876 -1.567712 24 8 0 .182563 .219637 -2.561443 25 6 0 -1.177815 -.115034 -2.597800 26 6 0 -2.013756 .970653 -1.937377 27 6 0 -1.974351 1.070856 -.406757 28 6 0 -3.337152 1.696773 -.115765 29 6 0 -4.223608 1.082013 -1.199619 30 7 0 -4.971616 -.088017 -.736143 31 6 0 -6.129274 -.069607 -.019523 32 7 0 -6.817294 .981345 .419355 33 6 0 -7.900968 .623557 1.063827 34 7 0 -8.354625 -.601464 1.312881 35 6 0 -7.647412 -1.633307 .874024 36 7 0 -8.078519 -2.886623 1.152329 37 6 0 -6.470459 -1.392624 .162861 38 7 0 -5.547436 -2.222230 -.438625 39 6 0 -4.692136 -1.413217 -.952165 40 8 0 -3.380254 .674059 -2.224608 41 8 0 -3.287368 3.074048 -.336345 42 8 0 -.983265 1.886732 .108835 43 8 0 1.087130 .237071 -.197487 44 8 0 .973427 -1.937573 -1.490087 45 1 0 6.420518 .329961 -.153801 46 1 0 5.981950 -.675319 -1.521905 47 1 0 6.558564 -1.914574 .605050 48 1 0 4.608249 -2.796891 -1.122451 49 1 0 3.018639 -1.386798 -.078890 50 1 0 3.758026 -2.387365 2.643514 51 1 0 1.598378 -2.038542 3.088637 52 1 0 -.123475 -.428158 3.856829 53 1 0 .262248 2.009333 3.406259 54 1 0 2.979281 4.409671 .772424 55 1 0 2.968380 2.830534 .154719 56 1 0 3.878497 .925754 1.440945 57 1 0 1.671736 -2.931383 -.069620 58 1 0 5.750676 -4.273148 .127415 59 1 0 -1.354317 -1.076812 -2.131620 60 1 0 -1.469232 -.188367 -3.637678 61 1 0 -1.753779 1.931654 -2.362884 62 1 0 -1.926277 .071288 .021515 63 1 0 -3.705838 1.480064 .880588 64 1 0 -4.943761 1.804180 -1.552254 65 1 0 -8.511663 1.423236 1.443461 66 1 0 -7.685464 -3.637183 .630844 67 1 0 -9.024153 -2.979269 1.446099 68 1 0 -3.834045 -1.705842 -1.516343 69 1 0 -2.415563 3.367310 -.091834 70 1 0 -.129423 1.441687 -.003799 --------------------------------------------------------------------- Rotational constants (GHZ): .1266925 .0376231 .0368685 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6578.9508923580 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -2921.32031716 A.U. after 10 cycles Convg = .5806D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000072346 -.000026860 -.000009750 2 8 -.000083158 .000013322 -.000056564 3 15 .000027418 .000037512 .000047510 4 8 -.000015404 .000008946 .000020866 5 6 .000017179 -.000008828 .000007930 6 6 -.000002773 -.000008031 -.000053253 7 6 -.000002035 .000004480 .000004998 8 6 -.000007317 -.000017481 .000000284 9 6 .000063674 -.000020288 -.000017109 10 7 .000012443 .000065406 .000007923 11 6 -.000020645 -.000000841 .000012304 12 6 .000010655 -.000036408 -.000002043 13 6 .000045241 .000031639 -.000038630 14 6 -.000073846 .000032998 .000046358 15 6 .000037537 -.000025667 -.000019513 16 7 -.000071933 -.000036050 .000008554 17 8 -.000000241 .000017802 .000013389 18 6 .000011458 -.000078776 -.000015822 19 8 -.000062353 .000011890 .000031985 20 8 -.000005940 .000026996 -.000021613 21 8 -.000007099 -.000008719 .000000350 22 8 .000010751 -.000017014 -.000008068 23 8 .000002299 -.000038596 -.000006735 24 8 -.000010853 -.000023741 -.000007704 25 6 .000022531 .000000700 .000009517 26 6 -.000022411 -.000009659 -.000007398 27 6 -.000008259 .000013942 .000033656 28 6 .000004381 -.000050754 .000009938 29 6 .000001512 -.000013442 .000024693 30 7 .000048174 .000033875 .000059633 31 6 -.000005551 -.000001427 -.000014803 32 7 .000000495 .000002116 .000006931 33 6 -.000010224 .000000394 -.000020694 34 7 .000009126 -.000004463 .000010101 35 6 -.000006966 .000017315 -.000027785 36 7 .000014816 -.000008651 .000028589 37 6 -.000014213 .000001195 -.000022330 38 7 .000061296 .000001495 .000080555 39 6 -.000086351 -.000027664 -.000118542 40 8 .000003345 .000031954 -.000003145 41 8 .000009361 .000022770 -.000023756 42 8 .000006810 -.000009615 -.000010332 43 8 -.000005510 .000016651 .000016303 44 8 -.000014919 .000001537 .000008186 45 1 -.000001870 -.000000730 .000012845 46 1 -.000000323 .000005829 .000003105 47 1 -.000000456 -.000001267 -.000002629 48 1 -.000002276 .000001036 -.000000230 49 1 .000002765 .000015646 -.000007291 50 1 -.000002220 .000003291 .000003596 51 1 -.000002753 .000001455 .000000667 52 1 -.000000963 .000001278 .000000451 53 1 -.000002435 .000000156 .000004514 54 1 .000010935 -.000007398 -.000014722 55 1 .000032178 .000058587 .000006973 56 1 .000015831 .000005601 -.000007644 57 1 .000015385 -.000024954 .000019001 58 1 .000005235 .000003695 .000002381 59 1 .000000034 -.000002535 -.000002283 60 1 .000002014 .000007429 .000001055 61 1 -.000006265 -.000005895 -.000004726 62 1 -.000002203 .000000404 -.000007488 63 1 .000008846 .000007323 .000000223 64 1 -.000002934 -.000007128 -.000012447 65 1 .000005446 .000000309 .000007141 66 1 -.000005634 -.000003060 -.000008373 67 1 -.000006388 -.000000695 -.000007188 68 1 .000004138 .000001299 .000012843 69 1 -.000006271 .000004483 .000012406 70 1 -.000014662 .000013883 .000002861 ------------------------------------------------------------------- Cartesian Forces: Max .000118542 RMS .000025521 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000062341 RMS .000012669 Search for a local minimum. Step number 21 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 Trust test= 5.32D-01 RLast= 1.94D-02 DXMaxT set to 8.66D-02 Eigenvalues --- .00082 .00233 .00430 .00578 .00790 Eigenvalues --- .00822 .01127 .01264 .01354 .01385 Eigenvalues --- .01578 .01624 .01655 .01864 .01975 Eigenvalues --- .02071 .02159 .02251 .02276 .02285 Eigenvalues --- .02312 .02322 .02353 .02394 .02413 Eigenvalues --- .02465 .02481 .02514 .02521 .02577 Eigenvalues --- .02624 .02708 .02751 .02891 .02966 Eigenvalues --- .03057 .03224 .03335 .03514 .03608 Eigenvalues --- .03830 .03954 .04055 .04205 .04428 Eigenvalues --- .04756 .04914 .05010 .05168 .05243 Eigenvalues --- .05497 .05698 .05760 .05862 .05912 Eigenvalues --- .06003 .06055 .06131 .06251 .06321 Eigenvalues --- .06525 .06755 .07060 .07161 .07368 Eigenvalues --- .07787 .07831 .08159 .08369 .08836 Eigenvalues --- .09073 .09288 .10181 .10650 .11130 Eigenvalues --- .11498 .11599 .13437 .14146 .14398 Eigenvalues --- .14824 .15842 .15935 .15991 .15999 Eigenvalues --- .16000 .16000 .16000 .16001 .16007 Eigenvalues --- .16015 .16032 .16055 .16234 .16411 Eigenvalues --- .16509 .16733 .17218 .17659 .17950 Eigenvalues --- .18125 .18602 .19206 .19602 .19880 Eigenvalues --- .20429 .21519 .21872 .22059 .23093 Eigenvalues --- .23154 .23496 .23614 .23650 .24096 Eigenvalues --- .24581 .24715 .24974 .24990 .24996 Eigenvalues --- .25002 .25133 .25441 .25680 .25963 Eigenvalues --- .27012 .27840 .28498 .28602 .29042 Eigenvalues --- .29725 .30156 .31586 .31868 .32319 Eigenvalues --- .34723 .35253 .35475 .35538 .35562 Eigenvalues --- .35602 .35682 .35714 .35753 .35787 Eigenvalues --- .35881 .36102 .36515 .36545 .36819 Eigenvalues --- .36902 .36959 .37155 .37387 .37577 Eigenvalues --- .37877 .39050 .39950 .41007 .41230 Eigenvalues --- .42737 .44718 .44836 .44855 .44909 Eigenvalues --- .45183 .45390 .45659 .45988 .46131 Eigenvalues --- .46325 .47480 .48297 .48601 .48682 Eigenvalues --- .48955 .49447 .49913 .51099 .51159 Eigenvalues --- .51391 .52343 .52568 .53614 .54663 Eigenvalues --- .55355 .55827 .56277 .57345 .57886 Eigenvalues --- .58167 .58467 .58616 .59916 .62521 Eigenvalues --- .63290 .68321 .79864 .81434 .87105 Eigenvalues --- .87442 .90364 1.01013 3.903991000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.74114757D-07. Quartic linear search produced a step of -.36823. Iteration 1 RMS(Cart)= .00339455 RMS(Int)= .00000118 Iteration 2 RMS(Cart)= .00000351 RMS(Int)= .00000009 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000009 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01534 -.00003 -.00002 -.00004 -.00006 3.01528 R2 3.04448 .00000 -.00001 .00000 -.00001 3.04447 R3 2.81967 .00003 .00002 .00001 .00003 2.81970 R4 2.80356 .00000 .00001 .00001 .00002 2.80358 R5 3.08803 .00004 -.00001 .00012 .00012 3.08814 R6 3.12232 .00000 .00004 -.00003 .00002 3.12233 R7 2.76484 .00002 .00000 .00002 .00002 2.76486 R8 2.78422 -.00004 -.00002 -.00003 -.00005 2.78417 R9 2.63192 .00000 .00001 .00002 .00003 2.63195 R10 2.87831 -.00004 -.00004 -.00006 -.00009 2.87822 R11 2.05250 .00000 .00000 .00000 .00000 2.05250 R12 2.04478 .00000 .00000 -.00001 -.00001 2.04476 R13 2.89899 -.00001 -.00001 .00002 .00001 2.89900 R14 2.72315 .00002 .00004 .00001 .00005 2.72320 R15 2.04806 .00000 .00000 .00000 .00000 2.04806 R16 2.86940 -.00001 .00000 .00001 .00000 2.86940 R17 2.65533 .00001 -.00001 .00002 .00001 2.65534 R18 2.04739 .00000 .00000 .00000 .00000 2.04739 R19 2.87874 .00001 -.00003 .00001 -.00001 2.87873 R20 2.59958 -.00001 .00001 -.00003 -.00002 2.59956 R21 2.01875 .00002 .00000 .00003 .00003 2.01878 R22 2.82998 .00002 .00002 .00001 .00003 2.83001 R23 2.59619 -.00006 -.00004 -.00004 -.00008 2.59610 R24 2.04276 .00000 .00000 .00000 .00000 2.04276 R25 2.53279 .00001 .00007 -.00002 .00005 2.53283 R26 2.51613 -.00002 -.00006 .00001 -.00005 2.51608 R27 2.57863 -.00002 -.00005 .00000 -.00005 2.57857 R28 2.02311 .00000 -.00001 .00000 .00000 2.02311 R29 2.62674 .00002 .00006 .00002 .00009 2.62683 R30 2.02615 .00000 .00000 .00000 .00000 2.02615 R31 2.60821 -.00005 -.00005 -.00006 -.00011 2.60810 R32 2.02681 .00000 .00000 .00001 .00000 2.02682 R33 2.84891 .00001 .00005 -.00004 .00000 2.84891 R34 2.60765 .00006 .00005 .00006 .00011 2.60776 R35 2.52039 -.00001 -.00012 .00002 -.00010 2.52029 R36 2.28111 .00002 .00002 .00002 .00005 2.28116 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.00046 D172 3.12584 .00001 .00007 .00009 .00016 3.12600 D173 .00351 .00001 .00005 .00008 .00013 .00364 D174 -3.13554 -.00001 -.00002 -.00010 -.00012 -3.13566 D175 .00450 -.00001 -.00002 -.00008 -.00010 .00440 D176 -3.13961 .00001 .00005 .00009 .00015 -3.13947 D177 3.11033 .00000 -.00006 -.00005 -.00012 3.11021 D178 -.01019 .00000 -.00001 .00003 .00003 -.01017 D179 2.87059 .00000 -.00050 .00022 -.00028 2.87030 D180 .29137 .00001 .00055 -.00014 .00041 .29179 D181 -.29279 -.00001 -.00056 .00013 -.00043 -.29322 D182 -2.87200 .00000 .00049 -.00023 .00027 -2.87174 D183 .00795 .00000 .00000 .00001 .00000 .00795 D184 -3.11293 -.00001 -.00004 -.00012 -.00016 -3.11309 D185 -3.11184 .00001 .00005 .00009 .00015 -3.11169 D186 .05047 .00000 .00002 -.00004 -.00002 .05046 D187 .00349 -.00003 -.00020 -.00030 -.00050 .00299 D188 3.12520 -.00002 -.00017 -.00017 -.00034 3.12486 D189 .00276 .00004 .00031 .00048 .00078 .00354 D190 -3.12387 .00000 -.00004 -.00001 -.00006 -3.12393 Item Value Threshold Converged? Maximum Force .000062 .000450 YES RMS Force .000013 .000300 YES Maximum Displacement .012776 .001800 NO RMS Displacement .003394 .001200 NO Predicted change in Energy=-2.228392D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.186574 -.468274 -1.506897 2 8 0 2.586998 -.159655 -2.206588 3 15 0 3.781085 .932202 -1.977392 4 8 0 4.443559 .312298 -.596511 5 6 0 5.664944 -.354713 -.540675 6 6 0 5.559009 -1.545633 .402871 7 6 0 4.641862 -2.691561 -.043345 8 6 0 3.312075 -2.222276 .519724 9 6 0 3.756630 -1.646233 1.858067 10 7 0 2.811032 -.577993 2.313526 11 6 0 1.697535 -.978020 2.943252 12 6 0 .759475 -.076400 3.354405 13 6 0 .971369 1.271798 3.090356 14 6 0 2.093998 1.666045 2.391012 15 6 0 2.286751 3.132283 2.098118 16 7 0 2.921374 3.434965 .964828 17 8 0 1.886169 3.937083 2.903733 18 6 0 3.000437 .701972 1.999552 19 8 0 5.013980 -1.125943 1.669141 20 8 0 2.288742 -3.133177 .643832 21 8 0 5.005040 -3.895802 .583026 22 8 0 4.751020 .757842 -3.058819 23 8 0 3.202394 2.225001 -1.571856 24 8 0 .182041 .221424 -2.560819 25 6 0 -1.178422 -.112761 -2.598002 26 6 0 -2.014331 .972622 -1.937004 27 6 0 -1.974471 1.072238 -.406323 28 6 0 -3.337431 1.697460 -.114627 29 6 0 -4.224015 1.083037 -1.198566 30 7 0 -4.971654 -.087388 -.735605 31 6 0 -6.129524 -.069609 -.019315 32 7 0 -6.818168 .980967 .419484 33 6 0 -7.901827 .622591 1.063655 34 7 0 -8.354871 -.602677 1.312604 35 6 0 -7.647023 -1.634132 .873865 36 7 0 -8.077450 -2.887706 1.152194 37 6 0 -6.470055 -1.392809 .162959 38 7 0 -5.546384 -2.221922 -.438216 39 6 0 -4.691684 -1.412444 -.952000 40 8 0 -3.380824 .675968 -2.224041 41 8 0 -3.288211 3.074892 -.334518 42 8 0 -.983602 1.888391 .109261 43 8 0 1.088440 .240633 -.197607 44 8 0 .969272 -1.935728 -1.486937 45 1 0 6.420899 .323066 -.154874 46 1 0 5.980914 -.682698 -1.522207 47 1 0 6.555215 -1.921286 .605479 48 1 0 4.602416 -2.801311 -1.120483 49 1 0 3.015920 -1.387424 -.077404 50 1 0 3.754864 -2.386742 2.645573 51 1 0 1.596837 -2.033270 3.093096 52 1 0 -.121430 -.418815 3.860725 53 1 0 .268014 2.017346 3.406273 54 1 0 2.985946 4.409530 .765949 55 1 0 2.972315 2.829720 .150271 56 1 0 3.879980 .924648 1.438064 57 1 0 1.666224 -2.929865 -.065941 58 1 0 5.742784 -4.278574 .130158 59 1 0 -1.355357 -1.074847 -2.132662 60 1 0 -1.469411 -.185111 -3.638067 61 1 0 -1.754597 1.933832 -2.362190 62 1 0 -1.925811 .072525 .021553 63 1 0 -3.705745 1.480123 .881726 64 1 0 -4.944443 1.805232 -1.550579 65 1 0 -8.512948 1.421937 1.443307 66 1 0 -7.684029 -3.637977 .630555 67 1 0 -9.023184 -2.980802 1.445517 68 1 0 -3.833331 -1.704621 -1.516009 69 1 0 -2.416504 3.368368 -.089927 70 1 0 -.129535 1.443830 -.003504 --------------------------------------------------------------------- Rotational constants (GHZ): .1266373 .0376252 .0368665 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6578.7530780657 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -2921.32031742 A.U. after 8 cycles Convg = .5420D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000045906 -.000009047 .000013352 2 8 -.000050359 .000014956 -.000048503 3 15 .000005326 .000018636 .000036427 4 8 -.000004502 -.000001053 .000010436 5 6 .000015744 -.000007638 -.000000957 6 6 -.000003357 -.000003704 -.000033223 7 6 .000002119 .000000000 .000006084 8 6 -.000009823 -.000002828 -.000007706 9 6 .000031429 -.000013685 -.000007185 10 7 .000007637 .000047349 .000000715 11 6 -.000020092 .000000984 .000009012 12 6 .000009168 -.000023288 .000000546 13 6 .000020652 .000019807 -.000023775 14 6 -.000031058 .000013287 .000015246 15 6 .000013267 -.000006565 -.000010436 16 7 -.000043651 -.000014557 -.000004423 17 8 .000001915 .000007956 .000007704 18 6 .000009010 -.000046007 -.000002365 19 8 -.000031762 -.000000355 .000018995 20 8 -.000003915 .000009124 -.000004406 21 8 -.000004831 -.000005009 -.000001646 22 8 .000005228 -.000008628 -.000001656 23 8 .000007443 -.000012181 -.000004821 24 8 -.000011473 -.000019503 -.000015653 25 6 .000017578 .000006816 .000008907 26 6 -.000002630 -.000011255 .000003502 27 6 -.000005869 .000001192 .000017879 28 6 -.000002171 -.000030276 .000005546 29 6 -.000004992 .000010215 .000001972 30 7 .000012909 .000006791 .000000565 31 6 .000005893 .000004505 .000007035 32 7 -.000002488 .000000039 -.000000809 33 6 .000005251 .000000145 .000005220 34 7 -.000000150 -.000003974 -.000003565 35 6 .000003065 .000013719 -.000006828 36 7 .000006966 -.000006232 .000015946 37 6 .000001351 -.000001964 .000003465 38 7 -.000004460 .000001778 -.000014147 39 6 -.000003773 -.000015018 .000005065 40 8 -.000010478 .000018847 .000000375 41 8 .000003763 .000012996 -.000016110 42 8 .000002065 .000003727 -.000006105 43 8 -.000004204 .000003580 .000014761 44 8 -.000010048 .000000093 -.000001447 45 1 -.000000399 -.000000929 .000007625 46 1 .000000425 .000004424 .000001312 47 1 -.000000153 -.000001006 -.000001305 48 1 -.000002351 .000001510 -.000000858 49 1 -.000002386 .000002502 -.000000048 50 1 -.000002140 .000002691 .000003874 51 1 .000000025 -.000000166 -.000000916 52 1 -.000000372 .000001260 .000000180 53 1 -.000001712 -.000000462 .000002721 54 1 .000005973 -.000001555 -.000000470 55 1 .000022421 .000007725 .000005192 56 1 .000001394 .000006014 -.000002573 57 1 .000027047 .000002977 .000011594 58 1 .000004258 .000002869 .000002257 59 1 .000000040 -.000001941 -.000002264 60 1 -.000001753 .000003823 -.000000236 61 1 -.000002920 -.000004418 -.000002486 62 1 -.000000493 .000002239 -.000006305 63 1 .000007005 .000003448 .000001260 64 1 -.000000702 -.000004427 -.000011165 65 1 -.000000771 -.000000057 -.000002454 66 1 -.000003509 -.000001605 -.000005202 67 1 -.000004177 -.000000762 -.000004405 68 1 .000001316 .000001813 .000003478 69 1 -.000003936 .000001198 .000008340 70 1 -.000009729 -.000000937 -.000000138 ------------------------------------------------------------------- Cartesian Forces: Max .000050359 RMS .000012522 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000036103 RMS .000007843 Search for a local minimum. Step number 22 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 Trust test= 1.16D+00 RLast= 7.42D-03 DXMaxT set to 8.66D-02 Eigenvalues --- .00110 .00221 .00398 .00578 .00752 Eigenvalues --- .00799 .01120 .01243 .01283 .01394 Eigenvalues --- .01542 .01602 .01629 .01858 .01973 Eigenvalues --- .02071 .02160 .02249 .02274 .02284 Eigenvalues --- .02312 .02322 .02351 .02393 .02417 Eigenvalues --- .02465 .02474 .02515 .02520 .02546 Eigenvalues --- .02583 .02708 .02752 .02798 .02977 Eigenvalues --- .03061 .03105 .03250 .03526 .03643 Eigenvalues --- .03878 .03987 .04060 .04403 .04520 Eigenvalues --- .04893 .04986 .05082 .05217 .05291 Eigenvalues --- .05508 .05704 .05776 .05893 .05907 Eigenvalues --- .06021 .06105 .06149 .06260 .06307 Eigenvalues --- .06548 .06756 .07023 .07163 .07517 Eigenvalues --- .07789 .07842 .08197 .08380 .08840 Eigenvalues --- .09087 .09478 .10270 .10655 .11151 Eigenvalues --- .11503 .11600 .13508 .14143 .14394 Eigenvalues --- .14835 .15765 .15873 .15995 .16000 Eigenvalues --- .16000 .16000 .16000 .16001 .16005 Eigenvalues --- .16016 .16036 .16048 .16213 .16336 Eigenvalues --- .16565 .16819 .17247 .17670 .18001 Eigenvalues --- .18465 .18706 .19247 .19662 .19882 Eigenvalues --- .20528 .21545 .21883 .22060 .23139 Eigenvalues --- .23238 .23497 .23630 .23638 .24081 Eigenvalues --- .24643 .24807 .24990 .24994 .25001 Eigenvalues --- .25021 .25468 .25678 .25780 .26074 Eigenvalues --- .27554 .28050 .28437 .28694 .29039 Eigenvalues --- .29728 .30134 .31655 .31873 .32295 Eigenvalues --- .34756 .35251 .35480 .35562 .35578 Eigenvalues --- .35629 .35693 .35715 .35752 .35812 Eigenvalues --- .35882 .36102 .36501 .36545 .36841 Eigenvalues --- .36904 .36959 .37158 .37512 .37560 Eigenvalues --- .37951 .39312 .40099 .40889 .41192 Eigenvalues --- .42674 .44693 .44833 .44856 .44925 Eigenvalues --- .45217 .45431 .45647 .45990 .46138 Eigenvalues --- .46309 .47540 .48298 .48586 .48679 Eigenvalues --- .48969 .49040 .49858 .51109 .51166 Eigenvalues --- .51393 .52073 .52589 .53681 .54631 Eigenvalues --- .55353 .55831 .56118 .57349 .57890 Eigenvalues --- .58345 .58471 .58916 .59920 .61794 Eigenvalues --- .62898 .68257 .79689 .81506 .86788 Eigenvalues --- .88637 .90276 1.01008 3.922141000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.63836133D-07. Quartic linear search produced a step of .24211. Iteration 1 RMS(Cart)= .00194099 RMS(Int)= .00000046 Iteration 2 RMS(Cart)= .00000121 RMS(Int)= .00000005 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000005 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01528 -.00001 -.00001 -.00002 -.00004 3.01524 R2 3.04447 .00001 .00000 .00002 .00002 3.04448 R3 2.81970 .00002 .00001 .00002 .00002 2.81972 R4 2.80358 .00000 .00001 .00001 .00001 2.80359 R5 3.08814 .00002 .00003 .00010 .00013 3.08827 R6 3.12233 .00000 .00000 .00000 .00000 3.12233 R7 2.76486 .00001 .00000 .00001 .00001 2.76487 R8 2.78417 -.00001 -.00001 -.00003 -.00004 2.78413 R9 2.63195 .00001 .00001 .00002 .00003 2.63198 R10 2.87822 -.00002 -.00002 -.00005 -.00007 2.87814 R11 2.05250 .00000 .00000 .00000 .00001 2.05251 R12 2.04476 .00000 .00000 -.00001 -.00001 2.04475 R13 2.89900 -.00001 .00000 .00000 .00000 2.89900 R14 2.72320 .00002 .00001 .00005 .00007 2.72326 R15 2.04806 .00000 .00000 .00000 .00000 2.04806 R16 2.86940 -.00001 .00000 .00000 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-2.81161 D153 .29608 .00000 .00013 -.00104 -.00091 .29516 D154 -.71839 -.00001 .00016 -.00077 -.00061 -.71900 D155 2.38871 -.00001 .00013 -.00107 -.00094 2.38777 D156 -.01132 .00000 .00004 .00055 .00059 -.01073 D157 -2.14087 .00001 .00001 .00062 .00063 -2.14024 D158 2.09250 .00001 .00002 .00058 .00060 2.09309 D159 -.01078 .00000 .00004 -.00025 -.00021 -.01099 D160 3.12309 .00000 .00006 -.00028 -.00022 3.12287 D161 -3.12423 .00000 .00007 -.00001 .00006 -3.12418 D162 .00964 .00000 .00010 -.00004 .00005 .00969 D163 -3.12136 .00001 -.00016 .00033 .00017 -3.12119 D164 .00677 .00000 .00004 .00028 .00032 .00709 D165 -.00867 .00001 -.00019 .00008 -.00011 -.00878 D166 3.11946 .00000 .00001 .00004 .00004 3.11950 D167 3.12648 .00000 .00001 .00000 .00001 3.12649 D168 -.00593 .00000 -.00002 .00004 .00001 -.00591 D169 -3.13368 .00000 -.00002 .00001 -.00001 -3.13369 D170 -.00814 .00000 .00001 .00000 .00001 -.00813 D171 .00046 .00000 .00001 -.00002 -.00002 .00045 D172 3.12600 .00000 .00004 -.00003 .00001 3.12601 D173 .00364 .00000 .00003 -.00005 -.00002 .00362 D174 -3.13566 .00000 -.00003 .00007 .00004 -3.13562 D175 .00440 .00000 -.00003 .00005 .00002 .00442 D176 -3.13947 .00000 .00004 -.00007 -.00004 -3.13951 D177 3.11021 .00000 -.00003 -.00003 -.00006 3.11015 D178 -.01017 .00000 .00001 -.00003 -.00002 -.01019 D179 2.87030 .00000 -.00007 -.00005 -.00011 2.87019 D180 .29179 .00000 .00010 .00004 .00014 .29193 D181 -.29322 .00000 -.00010 -.00005 -.00016 -.29338 D182 -2.87174 .00000 .00006 .00004 .00010 -2.87164 D183 .00795 .00000 .00000 .00002 .00002 .00797 D184 -3.11309 .00000 -.00004 .00003 -.00001 -3.11310 D185 -3.11169 .00000 .00004 .00002 .00006 -3.11163 D186 .05046 .00000 .00000 .00003 .00003 .05048 D187 .00299 .00000 -.00012 .00005 -.00008 .00291 D188 3.12486 .00000 -.00008 .00004 -.00004 3.12482 D189 .00354 -.00001 .00019 -.00008 .00011 .00366 D190 -3.12393 .00000 -.00001 -.00003 -.00005 -3.12397 Item Value Threshold Converged? Maximum Force .000036 .000450 YES RMS Force .000008 .000300 YES Maximum Displacement .007578 .001800 NO RMS Displacement .001941 .001200 NO Predicted change in Energy=-8.924149D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.186373 -.465836 -1.507373 2 8 0 2.586883 -.158203 -2.207279 3 15 0 3.782284 .932142 -1.977256 4 8 0 4.443560 .311049 -.596334 5 6 0 5.664458 -.356862 -.540245 6 6 0 5.557149 -1.548290 .402443 7 6 0 4.638956 -2.693052 -.044613 8 6 0 3.309600 -2.223002 .518832 9 6 0 3.754668 -1.648257 1.857559 10 7 0 2.809891 -.579582 2.313795 11 6 0 1.696460 -.979126 2.943976 12 6 0 .759110 -.077081 3.355745 13 6 0 .971626 1.271087 3.091866 14 6 0 2.094095 1.664842 2.392078 15 6 0 2.287543 3.130988 2.099284 16 7 0 2.921914 3.433518 .965847 17 8 0 1.887622 3.935915 2.905130 18 6 0 2.999818 .700312 1.999944 19 8 0 5.012376 -1.128822 1.668936 20 8 0 2.285493 -3.133062 .642378 21 8 0 5.001060 -3.898092 .580861 22 8 0 4.752395 .756837 -3.058381 23 8 0 3.205028 2.225519 -1.571592 24 8 0 .182120 .225137 -2.560739 25 6 0 -1.178417 -.108647 -2.598611 26 6 0 -2.014228 .976044 -1.936315 27 6 0 -1.974303 1.073743 -.405489 28 6 0 -3.337303 1.698403 -.112905 29 6 0 -4.223884 1.085290 -1.197569 30 7 0 -4.970965 -.086092 -.736179 31 6 0 -6.128352 -.069794 -.019083 32 7 0 -6.816782 .979881 .422213 33 6 0 -7.899975 .620169 1.066421 34 7 0 -8.352760 -.605616 1.313288 35 6 0 -7.645124 -1.636160 .872079 36 7 0 -8.075236 -2.890312 1.148319 37 6 0 -6.468661 -1.393369 .160844 38 7 0 -5.545330 -2.221255 -.442542 39 6 0 -4.691081 -1.410721 -.955394 40 8 0 -3.380759 .680062 -2.223801 41 8 0 -3.288253 3.076135 -.331108 42 8 0 -.983522 1.889420 .111003 43 8 0 1.089212 .242652 -.197768 44 8 0 .967560 -1.933080 -1.487924 45 1 0 6.420648 .320112 -.153485 46 1 0 5.980750 -.684368 -1.521825 47 1 0 6.552959 -1.925044 .604947 48 1 0 4.599407 -2.801966 -1.121832 49 1 0 3.014163 -1.387460 -.077706 50 1 0 3.752329 -2.389289 2.644575 51 1 0 1.595246 -2.034348 3.093675 52 1 0 -.121755 -.419095 3.862404 53 1 0 .268832 2.016936 3.408328 54 1 0 2.987096 4.408066 .767104 55 1 0 2.972946 2.828380 .151247 56 1 0 3.879148 .922632 1.437971 57 1 0 1.663246 -2.928777 -.067332 58 1 0 5.738670 -4.281012 .127897 59 1 0 -1.355668 -1.071309 -2.134602 60 1 0 -1.469221 -.179491 -3.638831 61 1 0 -1.754331 1.937738 -2.360292 62 1 0 -1.925465 .073499 .021125 63 1 0 -3.705510 1.479823 .883208 64 1 0 -4.944625 1.807748 -1.548411 65 1 0 -8.510923 1.418730 1.447997 66 1 0 -7.682163 -3.639515 .624879 67 1 0 -9.020797 -2.984031 1.442012 68 1 0 -3.833073 -1.701738 -1.520522 69 1 0 -2.416620 3.369439 -.086054 70 1 0 -.129410 1.445132 -.002354 --------------------------------------------------------------------- Rotational constants (GHZ): .1265935 .0376359 .0368761 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6578.8620820521 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -2921.32031755 A.U. after 8 cycles Convg = .6232D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000012367 -.000015884 .000009791 2 8 -.000030709 .000024438 -.000025507 3 15 .000008947 -.000004377 .000018819 4 8 -.000007592 -.000007539 .000010356 5 6 .000003498 .000001018 .000002254 6 6 .000004885 -.000004005 -.000014313 7 6 .000005845 -.000000520 .000010037 8 6 .000007205 .000014005 -.000002752 9 6 .000008037 -.000013904 -.000004750 10 7 .000015578 .000030419 -.000008203 11 6 -.000020063 -.000004022 .000012553 12 6 .000002876 -.000014781 -.000003997 13 6 .000005495 .000011914 -.000004531 14 6 .000004683 -.000005578 -.000001786 15 6 .000001602 .000018158 -.000004906 16 7 -.000035921 -.000005460 -.000002037 17 8 .000004816 -.000004986 -.000001033 18 6 -.000006062 -.000030698 .000000504 19 8 -.000008803 .000005124 .000004221 20 8 -.000015864 .000000366 -.000005573 21 8 -.000004496 -.000000975 -.000002762 22 8 -.000002899 -.000002321 -.000001121 23 8 -.000004303 -.000002582 -.000001859 24 8 -.000009017 -.000007346 -.000013467 25 6 .000004135 .000008019 .000002796 26 6 .000019019 .000000911 .000010513 27 6 -.000015875 -.000013244 -.000002841 28 6 -.000009164 -.000001349 .000001385 29 6 .000005718 .000019546 .000000072 30 7 -.000002425 -.000011943 .000001164 31 6 .000006061 .000005267 .000006775 32 7 .000000935 -.000003411 -.000001288 33 6 -.000001704 -.000000272 .000000038 34 7 -.000000231 -.000001948 -.000002390 35 6 .000006815 .000012673 -.000000488 36 7 .000001827 -.000007053 .000010969 37 6 -.000000976 -.000006921 .000011649 38 7 -.000017567 .000005850 -.000023290 39 6 .000012566 -.000003842 .000018104 40 8 -.000008374 .000004963 -.000007618 41 8 -.000003735 .000001972 -.000012074 42 8 .000007958 .000003230 -.000002487 43 8 .000000878 .000012440 .000009506 44 8 .000003643 -.000000892 -.000002018 45 1 -.000000624 -.000000174 .000001547 46 1 .000000425 .000000235 .000001161 47 1 .000001018 -.000002984 .000001731 48 1 -.000003305 .000002451 -.000000241 49 1 -.000001443 -.000003505 .000006394 50 1 -.000002833 .000001647 .000000998 51 1 .000001510 .000000847 -.000000826 52 1 .000000211 .000000484 .000001630 53 1 .000000289 .000000804 -.000002220 54 1 .000005644 -.000001629 .000001871 55 1 .000018404 .000002533 .000002986 56 1 .000007303 .000002430 -.000002538 57 1 .000014077 -.000001236 .000004575 58 1 .000002535 .000002333 .000001501 59 1 .000004937 -.000002471 -.000001892 60 1 -.000001794 .000000817 -.000001762 61 1 .000000990 -.000001011 -.000000845 62 1 .000002886 .000004790 -.000001853 63 1 .000004320 -.000001634 .000001178 64 1 .000000561 -.000004726 -.000008992 65 1 .000000334 -.000000110 .000000455 66 1 -.000002309 -.000000825 -.000003546 67 1 -.000003028 -.000000858 -.000003319 68 1 -.000000434 .000001804 .000001325 69 1 -.000002622 -.000001008 .000005820 70 1 .000003337 -.000003462 .000006448 ------------------------------------------------------------------- Cartesian Forces: Max .000035921 RMS .000008638 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000039205 RMS .000007134 Search for a local minimum. Step number 23 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 Trust test= 1.41D+00 RLast= 5.20D-03 DXMaxT set to 8.66D-02 Eigenvalues --- .00105 .00161 .00380 .00573 .00655 Eigenvalues --- .00799 .01063 .01170 .01280 .01393 Eigenvalues --- .01505 .01598 .01630 .01858 .01965 Eigenvalues --- .02066 .02158 .02248 .02272 .02282 Eigenvalues --- .02308 .02312 .02341 .02385 .02399 Eigenvalues --- .02430 .02465 .02497 .02516 .02525 Eigenvalues --- .02581 .02720 .02734 .02771 .02978 Eigenvalues --- .03063 .03185 .03248 .03535 .03624 Eigenvalues --- .03899 .03991 .04063 .04394 .04563 Eigenvalues --- .04909 .05004 .05119 .05250 .05325 Eigenvalues --- .05510 .05705 .05795 .05892 .05933 Eigenvalues --- .06031 .06116 .06151 .06288 .06343 Eigenvalues --- .06550 .06765 .07084 .07213 .07512 Eigenvalues --- .07793 .07867 .08195 .08380 .08848 Eigenvalues --- .09106 .09557 .10298 .10687 .11204 Eigenvalues --- .11501 .11621 .13512 .14145 .14364 Eigenvalues --- .14858 .15737 .15890 .15996 .16000 Eigenvalues --- .16000 .16000 .16000 .16001 .16012 Eigenvalues --- .16017 .16045 .16049 .16209 .16320 Eigenvalues --- .16685 .16909 .17261 .17743 .18183 Eigenvalues --- .18708 .19082 .19304 .19659 .19916 Eigenvalues --- .20846 .21544 .21901 .22061 .23141 Eigenvalues --- .23297 .23502 .23606 .23634 .24084 Eigenvalues --- .24628 .24954 .24991 .24995 .25000 Eigenvalues --- .25106 .25477 .25720 .26067 .26715 Eigenvalues --- .27789 .28043 .28423 .28692 .29040 Eigenvalues --- .29972 .30387 .31666 .32101 .32221 Eigenvalues --- .34769 .35252 .35477 .35563 .35579 Eigenvalues --- .35634 .35713 .35718 .35753 .35834 Eigenvalues --- .35886 .36102 .36545 .36735 .36903 Eigenvalues --- .36959 .37148 .37347 .37507 .37559 Eigenvalues --- .37949 .39875 .40222 .40991 .41220 Eigenvalues --- .43463 .44698 .44832 .44893 .44938 Eigenvalues --- .45352 .45461 .45646 .45996 .46262 Eigenvalues --- .46396 .47540 .48296 .48390 .48642 Eigenvalues --- .48698 .49008 .49876 .51135 .51215 Eigenvalues --- .51602 .52262 .52714 .53757 .54656 Eigenvalues --- .55429 .55830 .56130 .57349 .57890 Eigenvalues --- .58348 .58478 .59304 .59988 .61596 Eigenvalues --- .62925 .68367 .79550 .81505 .86631 Eigenvalues --- .88091 .90294 1.01347 3.781751000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.41525033D-07. Quartic linear search produced a step of .54276. Iteration 1 RMS(Cart)= .00219023 RMS(Int)= .00000097 Iteration 2 RMS(Cart)= .00000199 RMS(Int)= .00000003 Iteration 3 RMS(Cart)= .00000000 RMS(Int)= .00000003 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01524 -.00001 -.00002 -.00003 -.00005 3.01519 R2 3.04448 .00000 .00001 .00002 .00003 3.04451 R3 2.81972 .00001 .00001 .00001 .00002 2.81974 R4 2.80359 .00000 .00001 -.00001 .00000 2.80359 R5 3.08827 .00000 .00007 .00001 .00008 3.08835 R6 3.12233 .00001 .00000 -.00001 -.00001 3.12233 R7 2.76487 .00000 .00001 .00000 .00001 2.76488 R8 2.78413 .00000 -.00002 .00000 -.00002 2.78411 R9 2.63198 .00001 .00001 .00002 .00003 2.63201 R10 2.87814 -.00001 -.00004 -.00002 -.00006 2.87808 R11 2.05251 .00000 .00000 .00000 .00000 2.05251 R12 2.04475 .00000 -.00001 -.00001 -.00001 2.04474 R13 2.89900 -.00001 .00000 -.00002 -.00002 2.89898 R14 2.72326 .00000 .00004 .00001 .00005 2.72331 R15 2.04806 .00000 .00000 .00000 .00000 2.04806 R16 2.86940 -.00001 .00000 .00000 .00000 2.86940 R17 2.65536 .00000 .00001 .00000 .00000 2.65536 R18 2.04739 .00000 .00000 .00000 .00000 2.04739 R19 2.87872 -.00001 .00000 .00001 .00001 2.87873 R20 2.59950 .00000 -.00003 .00001 -.00003 2.59948 R21 2.01880 -.00001 .00001 -.00001 .00000 2.01881 R22 2.83006 -.00001 .00003 .00003 .00006 2.83013 R23 2.59603 -.00001 -.00004 -.00003 -.00007 2.59596 R24 2.04277 .00000 .00000 .00000 .00000 2.04277 R25 2.53286 .00001 .00002 .00000 .00002 2.53288 R26 2.51604 -.00002 -.00002 -.00002 -.00004 2.51599 R27 2.57853 -.00001 -.00002 -.00001 -.00003 2.57850 R28 2.02311 .00000 .00000 .00000 .00000 2.02311 R29 2.62689 .00001 .00003 .00001 .00004 2.62693 R30 2.02615 .00000 .00000 .00000 .00000 2.02615 R31 2.60802 .00000 -.00005 -.00001 -.00006 2.60796 R32 2.02682 .00000 .00000 .00000 .00000 2.02683 R33 2.84887 .00001 -.00002 .00001 -.00001 2.84886 R34 2.60784 .00000 .00004 .00002 .00006 2.60790 R35 2.52024 -.00001 -.00003 .00003 .00000 2.52024 R36 2.28120 -.00001 .00002 -.00001 .00001 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.00000 -.00008 -.00007 3.12594 D173 .00362 .00000 -.00001 .00007 .00006 .00368 D174 -3.13562 .00000 .00002 -.00015 -.00012 -3.13574 D175 .00442 .00000 .00001 -.00010 -.00008 .00434 D176 -3.13951 .00000 -.00002 .00012 .00010 -3.13941 D177 3.11015 .00000 -.00003 .00006 .00002 3.11017 D178 -.01019 .00000 -.00001 .00003 .00002 -.01017 D179 2.87019 .00000 -.00006 .00016 .00010 2.87029 D180 .29193 .00000 .00008 -.00018 -.00011 .29182 D181 -.29338 .00000 -.00008 .00019 .00010 -.29328 D182 -2.87164 .00000 .00005 -.00016 -.00010 -2.87174 D183 .00797 .00000 .00001 .00004 .00005 .00802 D184 -3.11310 .00000 -.00001 .00005 .00004 -3.11306 D185 -3.11163 .00000 .00003 .00001 .00005 -3.11158 D186 .05048 .00000 .00002 .00002 .00004 .05052 D187 .00291 .00001 -.00004 .00009 .00005 .00296 D188 3.12482 .00001 -.00002 .00008 .00006 3.12487 D189 .00366 -.00001 .00006 -.00010 -.00004 .00362 D190 -3.12397 .00000 -.00002 -.00004 -.00007 -3.12404 Item Value Threshold Converged? Maximum Force .000039 .000450 YES RMS Force .000007 .000300 YES Maximum Displacement .014542 .001800 NO RMS Displacement .002190 .001200 NO Predicted change in Energy=-9.290219D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.186812 -.464056 -1.508964 2 8 0 2.587348 -.154532 -2.207921 3 15 0 3.782465 .935550 -1.974893 4 8 0 4.442644 .312239 -.594449 5 6 0 5.663889 -.355079 -.538404 6 6 0 5.556401 -1.548121 .402166 7 6 0 4.638822 -2.692439 -.047252 8 6 0 3.308994 -2.223730 .516193 9 6 0 3.753107 -1.650919 1.856071 10 7 0 2.807759 -.583127 2.313299 11 6 0 1.693956 -.983897 2.942065 12 6 0 .756118 -.082701 3.354525 13 6 0 .968525 1.265940 3.092875 14 6 0 2.091375 1.661018 2.394507 15 6 0 2.284776 3.127652 2.104171 16 7 0 2.919605 3.432172 .971523 17 8 0 1.884413 3.931220 2.911159 18 6 0 2.997602 .697261 2.001515 19 8 0 5.010755 -1.130863 1.669043 20 8 0 2.285130 -3.134312 .637735 21 8 0 5.000949 -3.898380 .576473 22 8 0 4.753535 .762156 -3.055475 23 8 0 3.204623 2.228143 -1.567605 24 8 0 .182608 .227934 -2.561736 25 6 0 -1.177958 -.105637 -2.599725 26 6 0 -2.013617 .978670 -1.936564 27 6 0 -1.974111 1.074799 -.405610 28 6 0 -3.337068 1.699369 -.112757 29 6 0 -4.223433 1.087203 -1.198066 30 7 0 -4.969943 -.085045 -.737827 31 6 0 -6.126044 -.070008 -.018628 32 7 0 -6.813126 .978893 .426611 33 6 0 -7.895366 .618091 1.071808 34 7 0 -8.348346 -.608087 1.316356 35 6 0 -7.642062 -1.637863 .871200 36 7 0 -8.072335 -2.892487 1.144977 37 6 0 -6.466765 -1.393853 .158451 38 7 0 -5.544997 -2.220659 -.448786 39 6 0 -4.691196 -1.409265 -.961021 40 8 0 -3.380205 .683609 -2.224825 41 8 0 -3.287919 3.077272 -.330003 42 8 0 -.983297 1.889773 .111934 43 8 0 1.088772 .242441 -.198337 44 8 0 .968759 -1.931441 -1.491751 45 1 0 6.419328 .321646 -.149739 46 1 0 5.981253 -.680688 -1.520262 47 1 0 6.552217 -1.924874 .604651 48 1 0 4.599916 -2.799618 -1.124670 49 1 0 3.013624 -1.387327 -.079175 50 1 0 3.750422 -2.393109 2.641997 51 1 0 1.592870 -2.039370 3.090070 52 1 0 -.125041 -.425677 3.860021 53 1 0 .265323 2.011126 3.409998 54 1 0 2.984806 4.407063 .774470 55 1 0 2.971303 2.828496 .155902 56 1 0 3.877279 .920675 1.440517 57 1 0 1.663307 -2.929261 -.072111 58 1 0 5.739282 -4.280051 .123626 59 1 0 -1.355273 -1.068648 -2.136448 60 1 0 -1.468860 -.175648 -3.639977 61 1 0 -1.753216 1.940672 -2.359504 62 1 0 -1.925542 .074113 .019983 63 1 0 -3.705473 1.480114 .883122 64 1 0 -4.944470 1.809747 -1.548135 65 1 0 -8.505145 1.415986 1.456635 66 1 0 -7.680571 -3.640572 .618966 67 1 0 -9.017378 -2.986491 1.440238 68 1 0 -3.834343 -1.699254 -1.528404 69 1 0 -2.416422 3.370411 -.084284 70 1 0 -.129258 1.445472 -.001767 --------------------------------------------------------------------- Rotational constants (GHZ): .1265609 .0376526 .0368945 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6579.1981805358 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -2921.32031765 A.U. after 8 cycles Convg = .9117D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 .000002504 -.000011146 .000020195 2 8 .000006238 .000029322 -.000010239 3 15 -.000011421 -.000034209 -.000006216 4 8 -.000000843 -.000013207 .000001214 5 6 -.000002794 .000008533 -.000001342 6 6 .000002820 -.000000891 .000008191 7 6 .000007243 -.000004849 .000004909 8 6 .000014333 .000025508 -.000004321 9 6 -.000020025 -.000007642 .000004940 10 7 .000014951 .000010705 -.000014601 11 6 -.000016896 -.000005601 .000011403 12 6 -.000001895 -.000002033 -.000002230 13 6 -.000014522 .000001013 .000008173 14 6 .000035028 -.000020169 -.000021270 15 6 .000001850 .000031361 -.000007017 16 7 -.000026626 .000013648 -.000003807 17 8 .000002147 -.000010775 -.000002339 18 6 -.000013027 -.000000564 .000008108 19 8 .000016413 .000000732 -.000006928 20 8 -.000016458 -.000011764 .000005844 21 8 -.000002390 .000003198 -.000003256 22 8 -.000002755 .000007555 .000006420 23 8 -.000000062 .000017040 .000001137 24 8 .000001765 .000002582 -.000004966 25 6 -.000009190 .000003449 .000000849 26 6 .000030945 .000005372 .000017572 27 6 -.000004475 -.000013964 -.000017461 28 6 -.000014996 .000016916 -.000003075 29 6 .000009249 .000034524 -.000002086 30 7 -.000000427 -.000034916 -.000000597 31 6 .000000065 .000014129 -.000000664 32 7 -.000001395 -.000006152 -.000007409 33 6 .000009020 .000001507 .000020655 34 7 -.000002446 -.000001884 -.000007797 35 6 .000007105 .000015323 -.000002481 36 7 .000000485 -.000010438 .000012261 37 6 .000000050 -.000010123 .000008285 38 7 -.000011931 .000001343 -.000011568 39 6 .000005191 .000011537 .000010782 40 8 -.000020725 -.000022078 -.000003450 41 8 .000004545 -.000010892 -.000002187 42 8 -.000003623 .000015454 .000003234 43 8 -.000007317 .000007187 .000000597 44 8 -.000004018 .000001641 -.000007467 45 1 .000000880 .000000340 -.000004758 46 1 .000000324 -.000003041 -.000000499 47 1 .000000641 -.000002454 .000001898 48 1 -.000002928 .000001778 -.000000846 49 1 -.000004990 -.000011178 .000007748 50 1 -.000000506 .000000927 -.000000795 51 1 .000002807 .000000972 -.000001230 52 1 .000000506 .000000353 .000001777 53 1 .000002095 .000000824 -.000003215 54 1 .000003190 .000001006 .000011567 55 1 .000012013 -.000029684 .000005580 56 1 .000001383 -.000000370 -.000000079 57 1 .000016236 .000010080 -.000003757 58 1 .000000514 .000001068 .000000783 59 1 -.000000883 -.000002389 -.000001813 60 1 -.000002934 .000000137 -.000001078 61 1 .000001422 .000002023 .000000017 62 1 .000000593 .000005277 .000001930 63 1 .000004686 -.000003834 .000000910 64 1 .000000729 -.000003915 -.000003051 65 1 -.000004327 -.000000027 -.000007003 66 1 -.000002155 -.000000489 -.000003259 67 1 -.000002744 -.000000717 -.000004217 68 1 .000002796 .000000963 -.000002479 69 1 .000000954 .000000534 .000003658 70 1 .000008008 -.000014464 .000002216 ------------------------------------------------------------------- Cartesian Forces: Max .000035028 RMS .000010373 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000044649 RMS .000007538 Search for a local minimum. Step number 24 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 Trust test= 1.14D+00 RLast= 8.28D-03 DXMaxT set to 8.66D-02 Eigenvalues --- .00094 .00134 .00373 .00568 .00668 Eigenvalues --- .00801 .01025 .01160 .01294 .01393 Eigenvalues --- .01493 .01601 .01631 .01857 .01965 Eigenvalues --- .02057 .02160 .02248 .02261 .02281 Eigenvalues --- .02298 .02313 .02335 .02372 .02396 Eigenvalues --- .02427 .02466 .02490 .02517 .02523 Eigenvalues --- .02583 .02722 .02731 .02832 .02987 Eigenvalues --- .03117 .03177 .03254 .03586 .03671 Eigenvalues --- .03912 .04019 .04063 .04393 .04573 Eigenvalues --- .04898 .05002 .05102 .05252 .05283 Eigenvalues --- .05516 .05712 .05770 .05904 .05938 Eigenvalues --- .06017 .06119 .06126 .06292 .06347 Eigenvalues --- .06557 .06777 .07096 .07216 .07479 Eigenvalues --- .07821 .07864 .08198 .08381 .08842 Eigenvalues --- .09110 .09468 .10356 .10668 .11154 Eigenvalues --- .11499 .11627 .13542 .14211 .14383 Eigenvalues --- .14867 .15888 .15918 .15993 .15999 Eigenvalues --- .16000 .16000 .16001 .16003 .16012 Eigenvalues --- .16014 .16049 .16068 .16269 .16327 Eigenvalues --- .16694 .16930 .17268 .17811 .18193 Eigenvalues --- .19056 .19104 .19296 .19675 .20019 Eigenvalues --- .20844 .21571 .21914 .22075 .23143 Eigenvalues --- .23429 .23504 .23624 .23640 .24111 Eigenvalues --- .24647 .24920 .24991 .24995 .25000 Eigenvalues --- .25092 .25472 .25773 .26193 .26841 Eigenvalues --- .27851 .28436 .28471 .29051 .29319 Eigenvalues --- .29974 .30584 .31698 .32064 .32280 Eigenvalues --- .34798 .35253 .35471 .35561 .35568 Eigenvalues --- .35630 .35704 .35718 .35755 .35827 Eigenvalues --- .35885 .36105 .36545 .36742 .36904 Eigenvalues --- .36959 .37151 .37279 .37430 .37585 Eigenvalues --- .38059 .39575 .40037 .41072 .41347 Eigenvalues --- .43365 .44602 .44844 .44881 .45017 Eigenvalues --- .45279 .45486 .45690 .45984 .46246 Eigenvalues --- .46429 .47703 .48259 .48514 .48671 Eigenvalues --- .48946 .49109 .49905 .51129 .51146 Eigenvalues --- .51714 .51946 .52657 .53942 .54749 Eigenvalues --- .55505 .55742 .55872 .57345 .57861 Eigenvalues --- .57930 .58481 .58873 .59927 .62683 Eigenvalues --- .64546 .68558 .79491 .81448 .86751 Eigenvalues --- .87637 .90421 1.01197 3.727251000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-8.48916437D-08. Quartic linear search produced a step of .18600. Iteration 1 RMS(Cart)= .00163047 RMS(Int)= .00000044 Iteration 2 RMS(Cart)= .00000093 RMS(Int)= .00000002 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01519 .00001 -.00001 .00000 -.00001 3.01518 R2 3.04451 .00000 .00001 .00001 .00002 3.04453 R3 2.81974 .00000 .00000 .00000 .00001 2.81975 R4 2.80359 .00000 .00000 .00000 .00000 2.80359 R5 3.08835 -.00002 .00002 -.00002 .00000 3.08835 R6 3.12233 .00001 .00000 .00000 .00000 3.12233 R7 2.76488 -.00001 .00000 .00000 .00000 2.76488 R8 2.78411 .00002 .00000 .00001 .00001 2.78412 R9 2.63201 .00001 .00001 .00000 .00001 2.63202 R10 2.87808 .00000 -.00001 .00001 -.00001 2.87807 R11 2.05251 .00000 .00000 .00000 .00000 2.05251 R12 2.04474 .00000 .00000 .00000 .00000 2.04474 R13 2.89898 -.00001 .00000 -.00002 -.00003 2.89896 R14 2.72331 -.00001 .00001 .00002 .00003 2.72334 R15 2.04806 .00000 .00000 .00000 .00000 2.04806 R16 2.86940 -.00001 .00000 -.00001 -.00001 2.86939 R17 2.65536 -.00001 .00000 -.00001 -.00001 2.65535 R18 2.04739 .00000 .00000 .00000 .00000 2.04740 R19 2.87873 -.00001 .00000 -.00001 .00000 2.87873 R20 2.59948 .00000 .00000 .00000 .00000 2.59947 R21 2.01881 -.00001 .00000 -.00002 -.00002 2.01879 R22 2.83013 -.00001 .00001 .00002 .00003 2.83016 R23 2.59596 .00001 -.00001 .00002 .00000 2.59597 R24 2.04277 .00000 .00000 .00000 .00000 2.04277 R25 2.53288 .00002 .00000 .00002 .00003 2.53291 R26 2.51599 -.00002 -.00001 -.00002 -.00003 2.51597 R27 2.57850 .00000 -.00001 .00000 -.00001 2.57849 R28 2.02311 .00000 .00000 .00000 .00000 2.02311 R29 2.62693 .00001 .00001 .00000 .00001 2.62694 R30 2.02615 .00000 .00000 .00000 .00000 2.02616 R31 2.60796 .00002 -.00001 .00001 .00000 2.60796 R32 2.02683 .00000 .00000 .00000 .00000 2.02682 R33 2.84886 .00000 .00000 .00001 .00000 2.84887 R34 2.60790 -.00002 .00001 -.00001 .00000 2.60790 R35 2.52024 -.00002 .00000 -.00002 -.00002 2.52022 R36 2.28121 -.00001 .00000 -.00001 -.00001 2.28120 R37 1.88357 .00000 .00000 .00000 .00000 1.88357 R38 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.00017 -3.13557 D175 .00434 .00001 -.00002 .00013 .00012 .00445 D176 -3.13941 -.00001 .00002 -.00020 -.00018 -3.13959 D177 3.11017 .00000 .00000 -.00004 -.00004 3.11014 D178 -.01017 .00000 .00000 -.00004 -.00004 -.01021 D179 2.87029 .00000 .00002 .00005 .00007 2.87036 D180 .29182 .00000 -.00002 -.00001 -.00003 .29180 D181 -.29328 .00000 .00002 .00005 .00007 -.29320 D182 -2.87174 .00000 -.00002 -.00001 -.00003 -2.87177 D183 .00802 .00000 .00001 -.00001 .00000 .00801 D184 -3.11306 .00000 .00001 .00000 .00001 -3.11305 D185 -3.11158 .00000 .00001 -.00001 .00000 -3.11159 D186 .05052 .00000 .00001 .00000 .00001 .05053 D187 .00296 .00001 .00001 -.00008 -.00007 .00289 D188 3.12487 .00000 .00001 -.00010 -.00008 3.12479 D189 .00362 -.00001 -.00001 .00018 .00018 .00380 D190 -3.12404 .00000 -.00001 -.00004 -.00006 -3.12410 Item Value Threshold Converged? Maximum Force .000045 .000450 YES RMS Force .000008 .000300 YES Maximum Displacement .009410 .001800 NO RMS Displacement .001631 .001200 NO Predicted change in Energy=-4.575078D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.187266 -.462683 -1.510164 2 8 0 2.587789 -.151272 -2.208299 3 15 0 3.782495 .938746 -1.972887 4 8 0 4.442111 .313551 -.593026 5 6 0 5.663703 -.353165 -.537238 6 6 0 5.556358 -1.547455 .401757 7 6 0 4.639494 -2.691585 -.049549 8 6 0 3.309205 -2.224110 .513824 9 6 0 3.752405 -1.652889 1.854680 10 7 0 2.806334 -.586106 2.312820 11 6 0 1.692295 -.988257 2.940312 12 6 0 .753748 -.088073 3.353351 13 6 0 .965664 1.261019 3.093613 14 6 0 2.088806 1.657567 2.396549 15 6 0 2.281616 3.124680 2.108233 16 7 0 2.917012 3.430930 .976379 17 8 0 1.880311 3.927010 2.915979 18 6 0 2.995778 .694779 2.002904 19 8 0 5.009939 -1.132089 1.668939 20 8 0 2.285596 -3.135213 .633586 21 8 0 5.001797 -3.898163 .572831 22 8 0 4.754238 .767305 -3.053174 23 8 0 3.204093 2.230575 -1.563959 24 8 0 .183062 .230327 -2.562281 25 6 0 -1.177515 -.103153 -2.600427 26 6 0 -2.013061 .980694 -1.936381 27 6 0 -1.973921 1.075350 -.405334 28 6 0 -3.336808 1.699917 -.112223 29 6 0 -4.223007 1.088694 -1.198158 30 7 0 -4.969200 -.084243 -.739022 31 6 0 -6.124476 -.070202 -.018477 32 7 0 -6.810658 .978072 .429622 33 6 0 -7.892229 .616397 1.075451 34 7 0 -8.345391 -.610095 1.318081 35 6 0 -7.640015 -1.639250 .870060 36 7 0 -8.070426 -2.894251 1.141874 37 6 0 -6.465472 -1.394270 .156401 38 7 0 -5.544735 -2.220211 -.453564 39 6 0 -4.691294 -1.408115 -.965295 40 8 0 -3.379688 .686291 -2.225287 41 8 0 -3.287392 3.077970 -.328461 42 8 0 -.983052 1.889635 .113192 43 8 0 1.088382 .241806 -.198515 44 8 0 .969992 -1.930207 -1.495232 45 1 0 6.418582 .323460 -.147312 46 1 0 5.981734 -.677332 -1.519356 47 1 0 6.552256 -1.924014 .604208 48 1 0 4.601151 -2.797408 -1.127123 49 1 0 3.013805 -1.387047 -.080585 50 1 0 3.749626 -2.396092 2.639647 51 1 0 1.591618 -2.043979 3.086801 52 1 0 -.127587 -.432146 3.857796 53 1 0 .261860 2.005439 3.411197 54 1 0 2.981885 4.406095 .780577 55 1 0 2.969675 2.828212 .160100 56 1 0 3.875710 .919386 1.442790 57 1 0 1.664215 -2.929419 -.076423 58 1 0 5.740718 -4.278793 .120066 59 1 0 -1.354865 -1.066544 -2.137932 60 1 0 -1.468509 -.172300 -3.640714 61 1 0 -1.752321 1.943025 -2.358354 62 1 0 -1.925653 .074267 .019335 63 1 0 -3.705393 1.479973 .883429 64 1 0 -4.944192 1.811389 -1.547613 65 1 0 -8.501350 1.413759 1.462419 66 1 0 -7.679527 -3.641458 .613977 67 1 0 -9.015145 -2.988503 1.438091 68 1 0 -3.835210 -1.697275 -1.534255 69 1 0 -2.415966 3.370819 -.082152 70 1 0 -.129127 1.445208 -.000835 --------------------------------------------------------------------- Rotational constants (GHZ): .1265515 .0376640 .0369073 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6579.4909726786 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -2921.32031769 A.U. after 8 cycles Convg = .7172D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000011153 -.000013597 -.000001783 2 8 .000023036 .000028419 .000007516 3 15 -.000000960 -.000031598 -.000011416 4 8 -.000003593 -.000015270 .000001758 5 6 -.000007380 .000016093 .000002812 6 6 .000001447 -.000000880 .000014896 7 6 .000002752 -.000001232 .000000454 8 6 .000012202 .000015039 .000000046 9 6 -.000023863 -.000005006 .000003217 10 7 .000012397 -.000006082 -.000011029 11 6 -.000006116 -.000006444 .000005901 12 6 -.000002225 .000003493 -.000002293 13 6 -.000013997 -.000003492 .000010447 14 6 .000030074 -.000016357 -.000015297 15 6 .000010764 .000023413 -.000010942 16 7 -.000021127 .000008996 .000006951 17 8 -.000000130 -.000006925 .000000672 18 6 -.000016036 .000009940 .000002403 19 8 .000017712 .000006206 -.000008454 20 8 -.000008830 -.000010376 .000004913 21 8 -.000002485 .000003221 -.000002849 22 8 -.000004479 .000004144 .000003490 23 8 -.000006968 .000012759 -.000001527 24 8 .000003665 .000005795 .000001908 25 6 -.000010492 .000002551 -.000002811 26 6 .000022399 .000003670 .000010794 27 6 -.000003961 -.000009022 -.000019095 28 6 -.000010664 .000016262 -.000002186 29 6 .000002067 .000021811 -.000007893 30 7 -.000014311 -.000022618 -.000014480 31 6 .000004063 .000009703 .000008657 32 7 .000005692 -.000004934 .000001912 33 6 -.000011685 .000000094 -.000012533 34 7 .000001923 -.000000859 .000000379 35 6 .000009476 .000013619 .000001777 36 7 .000000401 -.000009708 .000011833 37 6 .000001462 -.000007336 .000010315 38 7 -.000022392 .000000255 -.000027653 39 6 .000025271 .000010990 .000035163 40 8 -.000011372 -.000018436 -.000001161 41 8 -.000000285 -.000012713 .000000937 42 8 .000000385 .000007073 .000005022 43 8 -.000004533 .000004891 -.000006681 44 8 .000005026 .000006057 .000004585 45 1 .000001131 .000001021 -.000006670 46 1 -.000000184 -.000005053 -.000000323 47 1 .000000168 -.000000005 .000002999 48 1 -.000001241 -.000000492 -.000000210 49 1 -.000000284 -.000004510 .000004702 50 1 .000002003 -.000000822 -.000002220 51 1 .000001709 .000000969 .000000061 52 1 .000000911 -.000000443 .000001427 53 1 .000002757 .000001274 -.000002952 54 1 .000001966 -.000002366 .000005845 55 1 .000005654 -.000008869 .000002981 56 1 .000005506 -.000003118 -.000000465 57 1 -.000004270 -.000001851 -.000004253 58 1 -.000000203 -.000000071 .000000410 59 1 -.000000830 .000000072 -.000000396 60 1 -.000000779 -.000001151 -.000000759 61 1 .000000595 .000001742 .000001606 62 1 .000000288 .000001523 .000002334 63 1 .000001036 -.000002941 .000000599 64 1 .000001221 .000000397 .000000473 65 1 .000003057 -.000000085 .000004956 66 1 -.000002539 -.000000384 -.000003997 67 1 -.000002861 -.000000900 -.000003937 68 1 -.000000346 .000000490 -.000003927 69 1 .000001219 .000001287 .000001490 70 1 .000011142 -.000007324 .000001551 ------------------------------------------------------------------- Cartesian Forces: Max .000035163 RMS .000009432 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000028046 RMS .000004890 Search for a local minimum. Step number 25 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Trust test= 9.27D-01 RLast= 5.66D-03 DXMaxT set to 8.66D-02 Eigenvalues --- .00076 .00127 .00381 .00570 .00659 Eigenvalues --- .00801 .00993 .01150 .01294 .01405 Eigenvalues --- .01483 .01611 .01664 .01857 .01965 Eigenvalues --- .02054 .02156 .02229 .02250 .02277 Eigenvalues --- .02290 .02313 .02332 .02366 .02395 Eigenvalues --- .02425 .02468 .02484 .02518 .02522 Eigenvalues --- .02587 .02721 .02732 .02930 .02988 Eigenvalues --- .03096 .03227 .03468 .03565 .03670 Eigenvalues --- .03954 .04060 .04151 .04410 .04790 Eigenvalues --- .04924 .05003 .05141 .05260 .05487 Eigenvalues --- .05561 .05713 .05768 .05895 .05941 Eigenvalues --- .06008 .06110 .06131 .06302 .06414 Eigenvalues --- .06560 .06801 .07106 .07220 .07467 Eigenvalues --- .07816 .07861 .08214 .08398 .08834 Eigenvalues --- .09109 .09383 .10317 .10707 .11147 Eigenvalues --- .11501 .11633 .13536 .14222 .14408 Eigenvalues --- .14868 .15899 .15933 .15983 .15999 Eigenvalues --- .16000 .16000 .16001 .16005 .16010 Eigenvalues --- .16015 .16049 .16078 .16265 .16337 Eigenvalues --- .16724 .16965 .17289 .17767 .18188 Eigenvalues --- .18921 .19151 .19262 .19709 .19971 Eigenvalues --- .20939 .21614 .21925 .22079 .23143 Eigenvalues --- .23488 .23529 .23634 .23663 .24134 Eigenvalues --- .24638 .24802 .24991 .24995 .25002 Eigenvalues --- .25109 .25488 .25947 .26151 .26291 Eigenvalues --- .27859 .28464 .28512 .29064 .29775 Eigenvalues --- .29872 .30219 .31714 .32282 .32824 Eigenvalues --- .34818 .35254 .35468 .35563 .35566 Eigenvalues --- .35637 .35703 .35719 .35756 .35855 Eigenvalues --- .35883 .36106 .36544 .36643 .36903 Eigenvalues --- .36939 .36968 .37155 .37566 .37573 Eigenvalues --- .38189 .38997 .40179 .41147 .41308 Eigenvalues --- .42864 .44618 .44840 .44891 .45010 Eigenvalues --- .45337 .45570 .45825 .45984 .46394 Eigenvalues --- .46479 .47672 .48290 .48548 .48674 Eigenvalues --- .48990 .49302 .49899 .51056 .51164 Eigenvalues --- .51821 .52102 .52632 .53589 .54874 Eigenvalues --- .55418 .55816 .55992 .57347 .57724 Eigenvalues --- .57907 .58476 .58848 .59924 .62717 Eigenvalues --- .65475 .68594 .79755 .81446 .87181 Eigenvalues --- .88408 .90547 1.01065 3.872181000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-4.96185577D-08. Quartic linear search produced a step of -.04514. Iteration 1 RMS(Cart)= .00070843 RMS(Int)= .00000013 Iteration 2 RMS(Cart)= .00000024 RMS(Int)= .00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01518 .00001 .00000 .00000 .00000 3.01518 R2 3.04453 .00000 .00000 .00001 .00001 3.04455 R3 2.81975 -.00001 .00000 .00000 .00000 2.81975 R4 2.80359 -.00001 .00000 .00000 .00000 2.80359 R5 3.08835 -.00003 .00000 -.00005 -.00005 3.08830 R6 3.12233 .00001 .00000 .00000 .00000 3.12233 R7 2.76488 -.00001 .00000 .00000 .00000 2.76488 R8 2.78412 .00001 .00000 .00001 .00001 2.78413 R9 2.63202 .00000 .00000 -.00001 -.00001 2.63202 R10 2.87807 .00001 .00000 .00000 .00000 2.87808 R11 2.05251 .00000 .00000 .00000 .00000 2.05251 R12 2.04474 .00000 .00000 .00000 .00000 2.04474 R13 2.89896 .00000 .00000 -.00001 -.00001 2.89895 R14 2.72334 -.00001 .00000 -.00001 -.00001 2.72333 R15 2.04806 .00000 .00000 .00000 .00000 2.04806 R16 2.86939 .00000 .00000 .00000 .00000 2.86939 R17 2.65535 .00000 .00000 -.00001 -.00001 2.65534 R18 2.04740 .00000 .00000 .00000 .00000 2.04740 R19 2.87873 .00000 .00000 .00000 .00000 2.87873 R20 2.59947 .00002 .00000 .00002 .00002 2.59949 R21 2.01879 -.00001 .00000 -.00001 -.00001 2.01878 R22 2.83016 -.00001 .00000 -.00001 -.00001 2.83015 R23 2.59597 .00001 .00000 .00001 .00001 2.59597 R24 2.04277 .00000 .00000 .00000 .00000 2.04277 R25 2.53291 .00001 .00000 .00002 .00002 2.53293 R26 2.51597 .00000 .00000 -.00001 -.00001 2.51595 R27 2.57849 .00000 .00000 -.00001 -.00001 2.57848 R28 2.02311 .00000 .00000 .00000 .00000 2.02310 R29 2.62694 .00000 .00000 .00001 .00001 2.62694 R30 2.02616 .00000 .00000 .00000 .00000 2.02616 R31 2.60796 .00001 .00000 .00001 .00001 2.60797 R32 2.02682 .00000 .00000 .00000 .00000 2.02682 R33 2.84887 .00001 .00000 .00003 .00003 2.84889 R34 2.60790 -.00001 .00000 .00000 .00000 2.60790 R35 2.52022 -.00002 .00000 -.00003 -.00003 2.52020 R36 2.28120 .00000 .00000 .00000 .00000 2.28120 R37 1.88357 .00000 .00000 .00000 .00000 1.88356 R38 1.92005 .00000 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.00011 -3.13948 D177 3.11014 .00000 .00000 .00006 .00006 3.11020 D178 -.01021 .00000 .00000 .00002 .00002 -.01018 D179 2.87036 .00000 .00000 -.00003 -.00003 2.87032 D180 .29180 .00000 .00000 .00002 .00002 .29182 D181 -.29320 .00000 .00000 .00001 .00001 -.29320 D182 -2.87177 .00001 .00000 .00006 .00006 -2.87170 D183 .00801 .00000 .00000 .00004 .00004 .00805 D184 -3.11305 .00000 .00000 .00009 .00009 -3.11296 D185 -3.11159 .00000 .00000 .00000 .00000 -3.11159 D186 .05053 .00000 .00000 .00005 .00005 .05058 D187 .00289 .00001 .00000 .00015 .00016 .00304 D188 3.12479 .00001 .00000 .00010 .00011 3.12490 D189 .00380 -.00001 -.00001 -.00021 -.00022 .00358 D190 -3.12410 .00000 .00000 -.00002 -.00001 -3.12411 Item Value Threshold Converged? Maximum Force .000028 .000450 YES RMS Force .000005 .000300 YES Maximum Displacement .005182 .001800 NO RMS Displacement .000708 .001200 YES Predicted change in Energy=-2.501307D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.187149 -.462701 -1.510318 2 8 0 2.587704 -.151343 -2.208410 3 15 0 3.782625 .938352 -1.972761 4 8 0 4.441873 .312920 -.592830 5 6 0 5.663422 -.353852 -.536871 6 6 0 5.555875 -1.548024 .402251 7 6 0 4.638887 -2.692067 -.049010 8 6 0 3.308603 -2.224313 .514144 9 6 0 3.751730 -1.652961 1.854968 10 7 0 2.805860 -.585868 2.312785 11 6 0 1.691587 -.987655 2.940118 12 6 0 .753235 -.087161 3.352909 13 6 0 .965609 1.261849 3.093107 14 6 0 2.089006 1.658022 2.396231 15 6 0 2.282279 3.125103 2.107982 16 7 0 2.917754 3.431212 .976151 17 8 0 1.881203 3.927503 2.915770 18 6 0 2.995744 .694929 2.002801 19 8 0 5.009399 -1.132441 1.669332 20 8 0 2.284860 -3.135279 .633916 21 8 0 5.000909 -3.898621 .573569 22 8 0 4.754506 .766752 -3.052896 23 8 0 3.204466 2.230310 -1.563876 24 8 0 .183000 .230170 -2.562587 25 6 0 -1.177594 -.103251 -2.600698 26 6 0 -2.013100 .980721 -1.936812 27 6 0 -1.974074 1.075581 -.405785 28 6 0 -3.336956 1.700241 -.112848 29 6 0 -4.223094 1.088849 -1.198713 30 7 0 -4.969110 -.084163 -.739395 31 6 0 -6.123918 -.070189 -.018100 32 7 0 -6.809596 .978035 .430884 33 6 0 -7.890869 .616311 1.077188 34 7 0 -8.344124 -.610191 1.319586 35 6 0 -7.639253 -1.639300 .870667 36 7 0 -8.069789 -2.894332 1.142166 37 6 0 -6.465110 -1.394263 .156372 38 7 0 -5.544984 -2.220128 -.454613 39 6 0 -4.691593 -1.407992 -.966369 40 8 0 -3.379754 .686392 -2.225794 41 8 0 -3.287478 3.078247 -.329349 42 8 0 -.983215 1.889922 .112695 43 8 0 1.088135 .241961 -.198774 44 8 0 .969860 -1.930219 -1.495198 45 1 0 6.418333 .322761 -.146984 46 1 0 5.981500 -.678181 -1.518922 47 1 0 6.551708 -1.924683 .604840 48 1 0 4.600644 -2.798028 -1.126576 49 1 0 3.013367 -1.387309 -.080419 50 1 0 3.748694 -2.396025 2.640064 51 1 0 1.590595 -2.043335 3.086682 52 1 0 -.128282 -.430926 3.857246 53 1 0 .261987 2.006513 3.410519 54 1 0 2.982997 4.406363 .780412 55 1 0 2.970381 2.828474 .159880 56 1 0 3.875883 .919233 1.442882 57 1 0 1.663633 -2.929535 -.076239 58 1 0 5.739928 -4.279350 .121045 59 1 0 -1.355006 -1.066580 -2.138097 60 1 0 -1.468582 -.172504 -3.640981 61 1 0 -1.752280 1.942980 -2.358893 62 1 0 -1.925867 .074563 .019033 63 1 0 -3.705573 1.480490 .882830 64 1 0 -4.944361 1.811407 -1.548286 65 1 0 -8.499516 1.413631 1.464983 66 1 0 -7.679395 -3.641376 .613665 67 1 0 -9.014357 -2.988497 1.438892 68 1 0 -3.835921 -1.697069 -1.535989 69 1 0 -2.416107 3.371139 -.082891 70 1 0 -.129302 1.445432 -.001195 --------------------------------------------------------------------- Rotational constants (GHZ): .1265348 .0376678 .0369106 Standard basis: 6-31G(d) (6D, 7F) There are 720 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 720 basis functions, 1384 primitive gaussians, 720 cartesian basis functions 172 alpha electrons 172 beta electrons nuclear repulsion energy 6579.5191942899 Hartrees. NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 Big=T One-electron integrals computed using PRISM. NBasis= 720 RedAO= T NBF= 720 NBsUse= 720 1.00D-06 NBFU= 720 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -2921.32031772 A.U. after 7 cycles Convg = .4906D-08 -V/T = 2.0015 S**2 = .0000 Calling FoFCou, ICntrl= 2127 FMM=T ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 -.000022905 -.000004726 .000008569 2 8 .000016551 .000018972 .000006677 3 15 -.000001732 -.000021835 -.000009469 4 8 -.000000761 -.000010326 -.000003667 5 6 -.000004606 .000007450 -.000000645 6 6 .000003534 .000002987 .000016363 7 6 .000000868 -.000000611 -.000001587 8 6 .000006532 .000006749 .000001881 9 6 -.000018201 .000003286 .000003613 10 7 -.000000211 -.000017338 -.000003973 11 6 .000003018 -.000000430 -.000001144 12 6 -.000003420 .000007009 -.000000468 13 6 -.000010561 -.000006265 .000010353 14 6 .000015382 -.000010155 -.000012668 15 6 .000013760 .000007138 -.000013088 16 7 -.000011542 .000011493 .000006500 17 8 -.000002505 -.000000647 .000003448 18 6 -.000005148 .000019992 .000006115 19 8 .000018965 -.000000808 -.000010238 20 8 -.000002026 -.000006684 .000005680 21 8 -.000000101 .000001952 -.000001423 22 8 -.000003262 .000003522 .000001744 23 8 -.000001708 .000010490 -.000003206 24 8 .000004370 .000003618 -.000001275 25 6 -.000008520 .000000382 -.000004200 26 6 .000012451 .000006745 .000003753 27 6 .000000328 -.000003458 -.000014415 28 6 -.000003926 .000016655 -.000001496 29 6 .000004295 .000003083 -.000003345 30 7 -.000006785 -.000009242 .000003653 31 6 -.000001163 .000002659 -.000001643 32 7 .000001827 -.000003082 -.000003794 33 6 .000002358 -.000000482 .000010194 34 7 -.000001138 .000000214 -.000003066 35 6 .000003169 .000009694 -.000005235 36 7 .000001895 -.000007679 .000012351 37 6 -.000003611 -.000004060 .000002888 38 7 -.000002864 .000000605 .000002008 39 6 .000004336 .000008106 -.000001186 40 8 -.000001518 -.000011957 -.000000863 41 8 -.000002691 -.000006936 .000002289 42 8 -.000001552 .000000611 .000004613 43 8 .000000865 .000001371 -.000005368 44 8 .000006440 .000002290 -.000002310 45 1 .000000749 .000000668 -.000005198 46 1 -.000000031 -.000002838 -.000000406 47 1 .000000221 -.000000036 .000001396 48 1 .000000219 -.000000308 .000000244 49 1 -.000000864 -.000004131 .000003242 50 1 -.000000108 -.000000820 -.000001767 51 1 .000000825 -.000000198 -.000000078 52 1 .000000092 -.000000242 -.000000124 53 1 .000001021 .000000017 -.000001173 54 1 .000000435 -.000000738 .000005420 55 1 .000000813 -.000013280 .000002729 56 1 -.000002874 -.000002868 .000000927 57 1 -.000005679 .000002364 -.000003270 58 1 -.000000349 -.000000348 .000000121 59 1 .000001202 .000000977 .000000981 60 1 -.000000167 -.000001277 -.000000411 61 1 .000001107 .000001975 .000002065 62 1 .000000893 -.000000797 .000003182 63 1 -.000001419 -.000002531 -.000000174 64 1 .000000883 .000001544 .000002590 65 1 -.000002112 -.000000084 -.000003175 66 1 -.000002113 -.000000442 -.000003431 67 1 -.000002585 -.000000703 -.000003763 68 1 -.000000545 -.000000007 -.000001286 69 1 .000000681 -.000000629 -.000001238 70 1 .000011218 -.000005619 -.000000323 ------------------------------------------------------------------- Cartesian Forces: Max .000022905 RMS .000006348 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max .000019409 RMS .000004215 Search for a local minimum. Step number 26 out of a maximum of 405 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 2 4 1 6 5 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 Trust test= 1.04D+00 RLast= 2.83D-03 DXMaxT set to 8.66D-02 Eigenvalues --- .00084 .00133 .00380 .00569 .00643 Eigenvalues --- .00800 .00937 .01141 .01295 .01398 Eigenvalues --- .01471 .01610 .01638 .01859 .01946 Eigenvalues --- .02032 .02142 .02188 .02248 .02280 Eigenvalues --- .02288 .02314 .02331 .02362 .02395 Eigenvalues --- .02425 .02472 .02490 .02518 .02523 Eigenvalues --- .02587 .02716 .02732 .02963 .02995 Eigenvalues --- .03062 .03233 .03407 .03571 .03690 Eigenvalues --- .03952 .04057 .04207 .04416 .04789 Eigenvalues --- .04938 .05013 .05203 .05265 .05497 Eigenvalues --- .05698 .05751 .05876 .05890 .06007 Eigenvalues --- .06075 .06113 .06150 .06303 .06317 Eigenvalues --- .06568 .06793 .07075 .07230 .07565 Eigenvalues --- .07824 .07866 .08220 .08398 .08855 Eigenvalues --- .09143 .09462 .10301 .10707 .11127 Eigenvalues --- .11504 .11638 .13545 .14224 .14436 Eigenvalues --- .14864 .15736 .15919 .15988 .16000 Eigenvalues --- .16000 .16001 .16001 .16002 .16011 Eigenvalues --- .16022 .16036 .16069 .16266 .16488 Eigenvalues --- .16707 .16943 .17301 .17725 .18130 Eigenvalues --- .18954 .19204 .19353 .19825 .19972 Eigenvalues --- .20996 .21633 .21940 .22077 .23144 Eigenvalues --- .23490 .23512 .23632 .23717 .24233 Eigenvalues --- .24412 .24744 .24990 .24996 .25004 Eigenvalues --- .25134 .25366 .25664 .26113 .26313 Eigenvalues --- .27840 .28518 .28685 .29070 .29643 Eigenvalues --- .30152 .30282 .31759 .32429 .33076 Eigenvalues --- .34820 .35252 .35474 .35563 .35577 Eigenvalues --- .35640 .35709 .35722 .35754 .35879 Eigenvalues --- .35887 .36106 .36296 .36545 .36852 Eigenvalues --- .36909 .36960 .37160 .37563 .37622 Eigenvalues --- .38274 .38878 .40316 .40993 .41210 Eigenvalues --- .42536 .44708 .44827 .44895 .44998 Eigenvalues --- .45340 .45575 .45772 .45982 .46371 Eigenvalues --- .46583 .47721 .48289 .48556 .48675 Eigenvalues --- .48994 .49619 .49867 .51112 .51172 Eigenvalues --- .51696 .52226 .52651 .53515 .54802 Eigenvalues --- .55362 .55829 .56173 .57356 .57786 Eigenvalues --- .57940 .58473 .59397 .59916 .62695 Eigenvalues --- .64636 .68373 .79873 .81592 .86873 Eigenvalues --- .89723 .90619 1.01210 3.821701000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.35190988D-08. Quartic linear search produced a step of .06078. Iteration 1 RMS(Cart)= .00027525 RMS(Int)= .00000001 Iteration 2 RMS(Cart)= .00000004 RMS(Int)= .00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.01518 .00001 .00000 .00001 .00001 3.01519 R2 3.04455 .00000 .00000 .00000 .00000 3.04455 R3 2.81975 -.00001 .00000 .00000 .00000 2.81975 R4 2.80359 .00000 .00000 .00000 .00000 2.80358 R5 3.08830 -.00002 .00000 -.00004 -.00004 3.08826 R6 3.12233 .00000 .00000 .00001 .00001 3.12234 R7 2.76488 .00000 .00000 .00000 .00000 2.76487 R8 2.78413 .00001 .00000 .00001 .00001 2.78414 R9 2.63202 .00000 .00000 -.00001 -.00001 2.63201 R10 2.87808 .00001 .00000 .00001 .00001 2.87809 R11 2.05251 .00000 .00000 .00000 .00000 2.05251 R12 2.04474 .00000 .00000 .00000 .00000 2.04474 R13 2.89895 .00000 .00000 .00000 .00000 2.89896 R14 2.72333 .00000 .00000 -.00001 -.00001 2.72332 R15 2.04806 .00000 .00000 .00000 .00000 2.04807 R16 2.86939 .00000 .00000 .00000 .00000 2.86939 R17 2.65534 .00000 .00000 .00000 -.00001 2.65534 R18 2.04740 .00000 .00000 .00000 .00000 2.04740 R19 2.87873 .00000 .00000 -.00002 -.00002 2.87870 R20 2.59949 .00001 .00000 .00001 .00002 2.59951 R21 2.01878 .00000 .00000 -.00001 -.00001 2.01877 R22 2.83015 .00000 .00000 -.00002 -.00002 2.83012 R23 2.59597 .00002 .00000 .00003 .00003 2.59600 R24 2.04277 .00000 .00000 .00000 .00000 2.04276 R25 2.53293 .00000 .00000 .00001 .00001 2.53293 R26 2.51595 .00001 .00000 .00001 .00001 2.51596 R27 2.57848 .00000 .00000 .00000 .00000 2.57848 R28 2.02310 .00000 .00000 .00000 .00000 2.02310 R29 2.62694 -.00001 .00000 .00000 .00000 2.62694 R30 2.02616 .00000 .00000 .00000 .00000 2.02616 R31 2.60797 .00001 .00000 .00001 .00002 2.60798 R32 2.02682 .00000 .00000 .00000 .00000 2.02682 R33 2.84889 .00000 .00000 .00002 .00002 2.84892 R34 2.60790 -.00001 .00000 -.00001 -.00001 2.60788 R35 2.52020 -.00002 .00000 -.00004 -.00004 2.52015 R36 2.28120 .00000 .00000 .00001 .00001 2.28120 R37 1.88356 .00000 .00000 -.00001 -.00001 1.88356 R38 1.92006 .00001 .00000 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3.11018 D178 -.01018 .00000 .00000 -.00003 -.00003 -.01021 D179 2.87032 .00000 .00000 -.00017 -.00017 2.87015 D180 .29182 .00000 .00000 .00019 .00019 .29201 D181 -.29320 .00000 .00000 -.00016 -.00016 -.29336 D182 -2.87170 .00000 .00000 .00019 .00020 -2.87151 D183 .00805 .00000 .00000 .00000 .00000 .00805 D184 -3.11296 .00000 .00001 .00003 .00003 -3.11293 D185 -3.11159 .00000 .00000 -.00001 -.00001 -3.11160 D186 .05058 .00000 .00000 .00002 .00003 .05061 D187 .00304 .00000 .00001 .00000 .00001 .00306 D188 3.12490 .00000 .00001 -.00003 -.00002 3.12488 D189 .00358 .00000 -.00001 .00000 -.00001 .00356 D190 -3.12411 .00000 .00000 .00001 .00000 -3.12411 Item Value Threshold Converged? Maximum Force .000019 .000450 YES RMS Force .000004 .000300 YES Maximum Displacement .001043 .001800 YES RMS Displacement .000275 .001200 YES Predicted change in Energy=-1.184491D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5956 -DE/DX = 0.0 ! ! R2 R(1,24) 1.6111 -DE/DX = 0.0 ! ! R3 R(1,43) 1.4921 -DE/DX = 0.0 ! ! R4 R(1,44) 1.4836 -DE/DX = 0.0 ! ! R5 R(2,3) 1.6343 -DE/DX = 0.0 ! ! R6 R(3,4) 1.6523 -DE/DX = 0.0 ! ! R7 R(3,22) 1.4631 -DE/DX = 0.0 ! ! R8 R(3,23) 1.4733 -DE/DX = 0.0 ! ! R9 R(4,5) 1.3928 -DE/DX = 0.0 ! ! R10 R(5,6) 1.523 -DE/DX = 0.0 ! ! R11 R(5,45) 1.0861 -DE/DX = 0.0 ! ! R12 R(5,46) 1.082 -DE/DX = 0.0 ! ! R13 R(6,7) 1.5341 -DE/DX = 0.0 ! ! R14 R(6,19) 1.4411 -DE/DX = 0.0 ! ! R15 R(6,47) 1.0838 -DE/DX = 0.0 ! ! R16 R(7,8) 1.5184 -DE/DX = 0.0 ! ! R17 R(7,21) 1.4051 -DE/DX = 0.0 ! ! R18 R(7,48) 1.0834 -DE/DX = 0.0 ! ! R19 R(8,9) 1.5234 -DE/DX = 0.0 ! ! R20 R(8,20) 1.3756 -DE/DX = 0.0 ! ! R21 R(8,49) 1.0683 -DE/DX = 0.0 ! ! R22 R(9,10) 1.4976 -DE/DX = 0.0 ! ! R23 R(9,19) 1.3737 -DE/DX = 0.0 ! ! R24 R(9,50) 1.081 -DE/DX = 0.0 ! ! R25 R(10,11) 1.3404 -DE/DX = 0.0 ! ! R26 R(10,18) 1.3314 -DE/DX = 0.0 ! ! R27 R(11,12) 1.3645 -DE/DX = 0.0 ! ! R28 R(11,51) 1.0706 -DE/DX = 0.0 ! ! R29 R(12,13) 1.3901 -DE/DX = 0.0 ! ! R30 R(12,52) 1.0722 -DE/DX = 0.0 ! ! R31 R(13,14) 1.3801 -DE/DX = 0.0 ! ! R32 R(13,53) 1.0725 -DE/DX = 0.0 ! ! R33 R(14,15) 1.5076 -DE/DX = 0.0 ! ! R34 R(14,18) 1.38 -DE/DX = 0.0 ! ! R35 R(15,16) 1.3336 -DE/DX = 0.0 ! ! R36 R(15,17) 1.2072 -DE/DX = 0.0 ! ! R37 R(16,54) 0.9967 -DE/DX = 0.0 ! ! R38 R(16,55) 1.0161 -DE/DX = 0.0 ! ! R39 R(18,56) 1.067 -DE/DX = 0.0 ! ! R40 R(20,57) 0.9657 -DE/DX = 0.0 ! ! R41 R(21,58) 0.9465 -DE/DX = 0.0 ! ! R42 R(24,25) 1.4014 -DE/DX = 0.0 ! ! R43 R(25,26) 1.5211 -DE/DX = 0.0 ! ! R44 R(25,59) 1.0833 -DE/DX = 0.0 ! ! R45 R(25,60) 1.0824 -DE/DX = 0.0 ! ! R46 R(26,27) 1.5345 -DE/DX = 0.0 ! ! R47 R(26,40) 1.4275 -DE/DX = 0.0 ! ! R48 R(26,61) 1.0826 -DE/DX = 0.0 ! ! R49 R(27,28) 1.5276 -DE/DX = 0.0 ! ! R50 R(27,42) 1.3834 -DE/DX = 0.0 ! ! R51 R(27,62) 1.0885 -DE/DX = 0.0 ! ! R52 R(28,29) 1.5291 -DE/DX = 0.0 ! ! R53 R(28,41) 1.3958 -DE/DX = 0.0 ! ! R54 R(28,63) 1.0842 -DE/DX = 0.0 ! ! R55 R(29,30) 1.4641 -DE/DX = 0.0 ! ! R56 R(29,40) 1.3886 -DE/DX = 0.0 ! ! R57 R(29,64) 1.0791 -DE/DX = 0.0 ! ! R58 R(30,31) 1.3616 -DE/DX = 0.0 ! ! R59 R(30,39) 1.3715 -DE/DX = 0.0 ! ! R60 R(31,32) 1.3306 -DE/DX = 0.0 ! ! R61 R(31,37) 1.3784 -DE/DX = 0.0 ! ! R62 R(32,33) 1.3106 -DE/DX = 0.0 ! ! R63 R(33,34) 1.3299 -DE/DX = 0.0 ! ! R64 R(33,65) 1.0754 -DE/DX = 0.0 ! ! R65 R(34,35) 1.3257 -DE/DX = 0.0 ! ! R66 R(35,36) 1.3543 -DE/DX = 0.0 ! ! R67 R(35,37) 1.396 -DE/DX = 0.0 ! ! R68 R(36,66) 0.9949 -DE/DX = 0.0 ! ! R69 R(36,67) 0.9945 -DE/DX = 0.0 ! ! R70 R(37,38) 1.3791 -DE/DX = 0.0 ! ! R71 R(38,39) 1.2844 -DE/DX = 0.0 ! ! R72 R(39,68) 1.0678 -DE/DX = 0.0 ! ! R73 R(41,69) 0.9517 -DE/DX = 0.0 ! ! R74 R(42,70) 0.9694 -DE/DX = 0.0 ! ! R75 R(43,70) 1.7232 -DE/DX = 0.0 ! ! R76 R(44,57) 1.8691 -DE/DX = 0.0 ! ! A1 A(2,1,24) 100.2189 -DE/DX = 0.0 ! ! A2 A(2,1,43) 110.5275 -DE/DX = 0.0 ! ! A3 A(2,1,44) 109.0289 -DE/DX = 0.0 ! ! A4 A(24,1,43) 109.2463 -DE/DX = 0.0 ! ! A5 A(24,1,44) 109.9239 -DE/DX = 0.0 ! ! A6 A(43,1,44) 116.6445 -DE/DX = 0.0 ! ! A7 A(1,2,3) 135.1401 -DE/DX = 0.0 ! ! A8 A(2,3,4) 99.1932 -DE/DX = 0.0 ! ! A9 A(2,3,22) 107.5196 -DE/DX = 0.0 ! ! A10 A(2,3,23) 109.743 -DE/DX = 0.0 ! ! A11 A(4,3,22) 107.8865 -DE/DX = 0.0 ! ! A12 A(4,3,23) 104.876 -DE/DX = 0.0 ! ! A13 A(22,3,23) 124.6391 -DE/DX = 0.0 ! ! A14 A(3,4,5) 124.3818 -DE/DX = 0.0 ! ! A15 A(4,5,6) 109.7675 -DE/DX = 0.0 ! ! A16 A(4,5,45) 109.0128 -DE/DX = 0.0 ! ! A17 A(4,5,46) 111.3983 -DE/DX = 0.0 ! ! A18 A(6,5,45) 108.4321 -DE/DX = 0.0 ! ! A19 A(6,5,46) 110.2051 -DE/DX = 0.0 ! ! A20 A(45,5,46) 107.9511 -DE/DX = 0.0 ! ! A21 A(5,6,7) 116.4595 -DE/DX = 0.0 ! ! A22 A(5,6,19) 110.0488 -DE/DX = 0.0 ! ! A23 A(5,6,47) 108.8371 -DE/DX = 0.0 ! ! A24 A(7,6,19) 104.3016 -DE/DX = 0.0 ! ! A25 A(7,6,47) 110.1847 -DE/DX = 0.0 ! ! A26 A(19,6,47) 106.5168 -DE/DX = 0.0 ! ! A27 A(6,7,8) 100.6528 -DE/DX = 0.0 ! ! A28 A(6,7,21) 110.8561 -DE/DX = 0.0 ! ! A29 A(6,7,48) 112.7433 -DE/DX = 0.0 ! ! A30 A(8,7,21) 109.0205 -DE/DX = 0.0 ! ! A31 A(8,7,48) 111.597 -DE/DX = 0.0 ! ! A32 A(21,7,48) 111.4559 -DE/DX = 0.0 ! ! A33 A(7,8,9) 100.7855 -DE/DX = 0.0 ! ! A34 A(7,8,20) 118.705 -DE/DX = 0.0 ! ! A35 A(7,8,49) 106.0851 -DE/DX = 0.0 ! ! A36 A(9,8,20) 112.8443 -DE/DX = 0.0 ! ! A37 A(9,8,49) 106.0453 -DE/DX = 0.0 ! ! A38 A(20,8,49) 111.2012 -DE/DX = 0.0 ! ! A39 A(8,9,10) 110.6453 -DE/DX = 0.0 ! ! A40 A(8,9,19) 106.8272 -DE/DX = 0.0 ! ! A41 A(8,9,50) 112.3721 -DE/DX = 0.0 ! ! A42 A(10,9,19) 110.4593 -DE/DX = 0.0 ! ! A43 A(10,9,50) 105.4257 -DE/DX = 0.0 ! ! A44 A(19,9,50) 111.1724 -DE/DX = 0.0 ! ! A45 A(9,10,11) 117.0345 -DE/DX = 0.0 ! ! A46 A(9,10,18) 121.6137 -DE/DX = 0.0 ! ! A47 A(11,10,18) 121.0579 -DE/DX = 0.0 ! ! A48 A(10,11,12) 121.0285 -DE/DX = 0.0 ! ! A49 A(10,11,51) 115.9816 -DE/DX = 0.0 ! ! A50 A(12,11,51) 122.9892 -DE/DX = 0.0 ! ! A51 A(11,12,13) 118.6095 -DE/DX = 0.0 ! ! A52 A(11,12,52) 119.743 -DE/DX = 0.0 ! ! A53 A(13,12,52) 121.6448 -DE/DX = 0.0 ! ! A54 A(12,13,14) 119.8221 -DE/DX = 0.0 ! ! A55 A(12,13,53) 121.2136 -DE/DX = 0.0 ! ! A56 A(14,13,53) 118.9563 -DE/DX = 0.0 ! ! A57 A(13,14,15) 118.7025 -DE/DX = 0.0 ! ! A58 A(13,14,18) 118.5846 -DE/DX = 0.0 ! ! A59 A(15,14,18) 122.71 -DE/DX = 0.0 ! ! A60 A(14,15,16) 116.5337 -DE/DX = 0.0 ! ! A61 A(14,15,17) 118.4447 -DE/DX = 0.0 ! ! A62 A(16,15,17) 125.0055 -DE/DX = 0.0 ! ! A63 A(15,16,54) 114.987 -DE/DX = 0.0 ! ! A64 A(15,16,55) 124.7733 -DE/DX = 0.0 ! ! A65 A(54,16,55) 114.7848 -DE/DX = 0.0 ! ! A66 A(10,18,14) 120.7486 -DE/DX = 0.0 ! ! A67 A(10,18,56) 116.2353 -DE/DX = 0.0 ! ! A68 A(14,18,56) 123.0161 -DE/DX = 0.0 ! ! A69 A(6,19,9) 110.8982 -DE/DX = 0.0 ! ! A70 A(8,20,57) 105.8805 -DE/DX = 0.0 ! ! A71 A(7,21,58) 109.5558 -DE/DX = 0.0 ! ! A72 A(1,24,25) 121.3707 -DE/DX = 0.0 ! ! A73 A(24,25,26) 110.6017 -DE/DX = 0.0 ! ! A74 A(24,25,59) 111.0373 -DE/DX = 0.0 ! ! A75 A(24,25,60) 107.5997 -DE/DX = 0.0 ! ! A76 A(26,25,59) 110.9391 -DE/DX = 0.0 ! ! A77 A(26,25,60) 108.5048 -DE/DX = 0.0 ! ! A78 A(59,25,60) 108.0285 -DE/DX = 0.0 ! ! A79 A(25,26,27) 117.746 -DE/DX = 0.0 ! ! A80 A(25,26,40) 106.8918 -DE/DX = 0.0 ! ! A81 A(25,26,61) 109.3232 -DE/DX = 0.0 ! ! A82 A(27,26,40) 103.8319 -DE/DX = 0.0 ! ! A83 A(27,26,61) 109.1423 -DE/DX = 0.0 ! ! A84 A(40,26,61) 109.5705 -DE/DX = 0.0 ! ! A85 A(26,27,28) 101.182 -DE/DX = 0.0 ! ! A86 A(26,27,42) 115.3761 -DE/DX = 0.0 ! ! A87 A(26,27,62) 109.4924 -DE/DX = 0.0 ! ! A88 A(28,27,42) 109.0532 -DE/DX = 0.0 ! ! A89 A(28,27,62) 109.9214 -DE/DX = 0.0 ! ! A90 A(42,27,62) 111.3062 -DE/DX = 0.0 ! ! A91 A(27,28,29) 102.5538 -DE/DX = 0.0 ! ! A92 A(27,28,41) 110.0198 -DE/DX = 0.0 ! ! A93 A(27,28,63) 113.3629 -DE/DX = 0.0 ! ! A94 A(29,28,41) 107.7665 -DE/DX = 0.0 ! ! A95 A(29,28,63) 111.967 -DE/DX = 0.0 ! ! A96 A(41,28,63) 110.7685 -DE/DX = 0.0 ! ! A97 A(28,29,30) 113.1324 -DE/DX = 0.0 ! ! A98 A(28,29,40) 106.8093 -DE/DX = 0.0 ! ! A99 A(28,29,64) 110.4663 -DE/DX = 0.0 ! ! A100 A(30,29,40) 108.0179 -DE/DX = 0.0 ! ! A101 A(30,29,64) 107.3089 -DE/DX = 0.0 ! ! A102 A(40,29,64) 111.1247 -DE/DX = 0.0 ! ! A103 A(29,30,31) 126.1657 -DE/DX = 0.0 ! ! A104 A(29,30,39) 128.1938 -DE/DX = 0.0 ! ! A105 A(31,30,39) 105.6155 -DE/DX = 0.0 ! ! A106 A(30,31,32) 128.5992 -DE/DX = 0.0 ! ! A107 A(30,31,37) 105.4929 -DE/DX = 0.0 ! ! A108 A(32,31,37) 125.9063 -DE/DX = 0.0 ! ! A109 A(31,32,33) 111.9694 -DE/DX = 0.0 ! ! A110 A(32,33,34) 128.728 -DE/DX = 0.0 ! ! A111 A(32,33,65) 116.1115 -DE/DX = 0.0 ! ! A112 A(34,33,65) 115.1604 -DE/DX = 0.0 ! ! A113 A(33,34,35) 118.2299 -DE/DX = 0.0 ! ! A114 A(34,35,36) 118.8463 -DE/DX = 0.0 ! ! A115 A(34,35,37) 118.9604 -DE/DX = 0.0 ! ! A116 A(36,35,37) 122.1816 -DE/DX = 0.0 ! ! A117 A(35,36,66) 117.6844 -DE/DX = 0.0 ! ! A118 A(35,36,67) 116.71 -DE/DX = 0.0 ! ! A119 A(66,36,67) 117.3921 -DE/DX = 0.0 ! ! A120 A(31,37,35) 116.2031 -DE/DX = 0.0 ! ! A121 A(31,37,38) 110.7325 -DE/DX = 0.0 ! ! A122 A(35,37,38) 133.0559 -DE/DX = 0.0 ! ! A123 A(37,38,39) 103.9551 -DE/DX = 0.0 ! ! A124 A(30,39,38) 114.2008 -DE/DX = 0.0 ! ! A125 A(30,39,68) 120.7795 -DE/DX = 0.0 ! ! A126 A(38,39,68) 125.015 -DE/DX = 0.0 ! ! A127 A(26,40,29) 111.836 -DE/DX = 0.0 ! ! A128 A(28,41,69) 107.2242 -DE/DX = 0.0 ! ! A129 A(27,42,70) 108.4807 -DE/DX = 0.0 ! ! D1 D(24,1,2,3) 101.4143 -DE/DX = 0.0 ! ! D2 D(43,1,2,3) -13.7459 -DE/DX = 0.0 ! ! D3 D(44,1,2,3) -143.2162 -DE/DX = 0.0 ! ! D4 D(2,1,24,25) 160.9832 -DE/DX = 0.0 ! ! D5 D(43,1,24,25) -82.8911 -DE/DX = 0.0 ! ! D6 D(44,1,24,25) 46.2916 -DE/DX = 0.0 ! ! D7 D(1,2,3,4) 73.1115 -DE/DX = 0.0 ! ! D8 D(1,2,3,22) -174.7188 -DE/DX = 0.0 ! ! D9 D(1,2,3,23) -36.4243 -DE/DX = 0.0 ! ! D10 D(2,3,4,5) 106.959 -DE/DX = 0.0 ! ! D11 D(22,3,4,5) -4.9212 -DE/DX = 0.0 ! ! D12 D(23,3,4,5) -139.6469 -DE/DX = 0.0 ! ! D13 D(3,4,5,6) -139.7333 -DE/DX = 0.0 ! ! D14 D(3,4,5,45) 101.6335 -DE/DX = 0.0 ! ! D15 D(3,4,5,46) -17.3888 -DE/DX = 0.0 ! ! D16 D(4,5,6,7) 66.9585 -DE/DX = 0.0 ! ! D17 D(4,5,6,19) -51.4241 -DE/DX = 0.0 ! ! D18 D(4,5,6,47) -167.8001 -DE/DX = 0.0 ! ! D19 D(45,5,6,7) -174.0505 -DE/DX = 0.0 ! ! D20 D(45,5,6,19) 67.5669 -DE/DX = 0.0 ! ! D21 D(45,5,6,47) -48.8091 -DE/DX = 0.0 ! ! D22 D(46,5,6,7) -56.0921 -DE/DX = 0.0 ! ! D23 D(46,5,6,19) -174.4748 -DE/DX = 0.0 ! ! D24 D(46,5,6,47) 69.1492 -DE/DX = 0.0 ! ! D25 D(5,6,7,8) -87.8279 -DE/DX = 0.0 ! ! D26 D(5,6,7,21) 156.9241 -DE/DX = 0.0 ! ! D27 D(5,6,7,48) 31.1817 -DE/DX = 0.0 ! ! D28 D(19,6,7,8) 33.6424 -DE/DX = 0.0 ! ! D29 D(19,6,7,21) -81.6056 -DE/DX = 0.0 ! ! D30 D(19,6,7,48) 152.6521 -DE/DX = 0.0 ! ! D31 D(47,6,7,8) 147.6152 -DE/DX = 0.0 ! ! D32 D(47,6,7,21) 32.3672 -DE/DX = 0.0 ! ! D33 D(47,6,7,48) -93.3751 -DE/DX = 0.0 ! ! D34 D(5,6,19,9) 111.5803 -DE/DX = 0.0 ! ! D35 D(7,6,19,9) -14.047 -DE/DX = 0.0 ! ! D36 D(47,6,19,9) -130.5985 -DE/DX = 0.0 ! ! D37 D(6,7,8,9) -39.2977 -DE/DX = 0.0 ! ! D38 D(6,7,8,20) -163.0016 -DE/DX = 0.0 ! ! D39 D(6,7,8,49) 71.0529 -DE/DX = 0.0 ! ! D40 D(21,7,8,9) 77.3197 -DE/DX = 0.0 ! ! D41 D(21,7,8,20) -46.3842 -DE/DX = 0.0 ! ! D42 D(21,7,8,49) -172.3297 -DE/DX = 0.0 ! ! D43 D(48,7,8,9) -159.1355 -DE/DX = 0.0 ! ! D44 D(48,7,8,20) 77.1606 -DE/DX = 0.0 ! ! D45 D(48,7,8,49) -48.7849 -DE/DX = 0.0 ! ! D46 D(6,7,21,58) -80.5045 -DE/DX = 0.0 ! ! D47 D(8,7,21,58) 169.5833 -DE/DX = 0.0 ! ! D48 D(48,7,21,58) 45.9547 -DE/DX = 0.0 ! ! D49 D(7,8,9,10) 153.1579 -DE/DX = 0.0 ! ! D50 D(7,8,9,19) 32.8803 -DE/DX = 0.0 ! ! D51 D(7,8,9,50) -89.2962 -DE/DX = 0.0 ! ! D52 D(20,8,9,10) -79.1946 -DE/DX = 0.0 ! ! D53 D(20,8,9,19) 160.5278 -DE/DX = 0.0 ! ! D54 D(20,8,9,50) 38.3513 -DE/DX = 0.0 ! ! D55 D(49,8,9,10) 42.7765 -DE/DX = 0.0 ! ! D56 D(49,8,9,19) -77.5011 -DE/DX = 0.0 ! ! D57 D(49,8,9,50) 160.3224 -DE/DX = 0.0 ! ! D58 D(7,8,20,57) -105.4722 -DE/DX = 0.0 ! ! D59 D(9,8,20,57) 136.9987 -DE/DX = 0.0 ! ! D60 D(49,8,20,57) 17.9792 -DE/DX = 0.0 ! ! D61 D(8,9,10,11) 82.9324 -DE/DX = 0.0 ! ! D62 D(8,9,10,18) -90.9022 -DE/DX = 0.0 ! ! D63 D(19,9,10,11) -158.9848 -DE/DX = 0.0 ! ! D64 D(19,9,10,18) 27.1806 -DE/DX = 0.0 ! ! D65 D(50,9,10,11) -38.7967 -DE/DX = 0.0 ! ! D66 D(50,9,10,18) 147.3687 -DE/DX = 0.0 ! ! D67 D(8,9,19,6) -11.9007 -DE/DX = 0.0 ! ! D68 D(10,9,19,6) -132.2974 -DE/DX = 0.0 ! ! D69 D(50,9,19,6) 111.0264 -DE/DX = 0.0 ! ! D70 D(9,10,11,12) -177.8591 -DE/DX = 0.0 ! ! D71 D(9,10,11,51) 1.8619 -DE/DX = 0.0 ! ! D72 D(18,10,11,12) -3.988 -DE/DX = 0.0 ! ! D73 D(18,10,11,51) 175.7329 -DE/DX = 0.0 ! ! D74 D(9,10,18,14) 177.8199 -DE/DX = 0.0 ! ! D75 D(9,10,18,56) -2.1763 -DE/DX = 0.0 ! ! D76 D(11,10,18,14) 4.2317 -DE/DX = 0.0 ! ! D77 D(11,10,18,56) -175.7646 -DE/DX = 0.0 ! ! D78 D(10,11,12,13) 0.8935 -DE/DX = 0.0 ! ! D79 D(10,11,12,52) -179.6947 -DE/DX = 0.0 ! ! D80 D(51,11,12,13) -178.8075 -DE/DX = 0.0 ! ! D81 D(51,11,12,52) 0.6043 -DE/DX = 0.0 ! ! D82 D(11,12,13,14) 1.8731 -DE/DX = 0.0 ! ! D83 D(11,12,13,53) -179.1626 -DE/DX = 0.0 ! ! D84 D(52,12,13,14) -177.527 -DE/DX = 0.0 ! ! D85 D(52,12,13,53) 1.4373 -DE/DX = 0.0 ! ! D86 D(12,13,14,15) 178.9658 -DE/DX = 0.0 ! ! D87 D(12,13,14,18) -1.631 -DE/DX = 0.0 ! ! D88 D(53,13,14,15) -0.0218 -DE/DX = 0.0 ! ! D89 D(53,13,14,18) 179.3814 -DE/DX = 0.0 ! ! D90 D(13,14,15,16) -148.3144 -DE/DX = 0.0 ! ! D91 D(13,14,15,17) 33.071 -DE/DX = 0.0 ! ! D92 D(18,14,15,16) 32.3084 -DE/DX = 0.0 ! ! D93 D(18,14,15,17) -146.3061 -DE/DX = 0.0 ! ! D94 D(13,14,18,10) -1.3915 -DE/DX = 0.0 ! ! D95 D(13,14,18,56) 178.6044 -DE/DX = 0.0 ! ! D96 D(15,14,18,10) 177.9864 -DE/DX = 0.0 ! ! D97 D(15,14,18,56) -2.0177 -DE/DX = 0.0 ! ! D98 D(14,15,16,54) 176.3654 -DE/DX = 0.0 ! ! D99 D(14,15,16,55) 23.9125 -DE/DX = 0.0 ! ! D100 D(17,15,16,54) -5.1219 -DE/DX = 0.0 ! ! D101 D(17,15,16,55) -157.5747 -DE/DX = 0.0 ! ! D102 D(1,24,25,26) 103.0584 -DE/DX = 0.0 ! ! D103 D(1,24,25,59) -20.5585 -DE/DX = 0.0 ! ! D104 D(1,24,25,60) -138.5848 -DE/DX = 0.0 ! ! D105 D(24,25,26,27) -73.8556 -DE/DX = 0.0 ! ! D106 D(24,25,26,40) 169.9094 -DE/DX = 0.0 ! ! D107 D(24,25,26,61) 51.3905 -DE/DX = 0.0 ! ! D108 D(59,25,26,27) 49.8178 -DE/DX = 0.0 ! ! D109 D(59,25,26,40) -66.4172 -DE/DX = 0.0 ! ! D110 D(59,25,26,61) 175.0639 -DE/DX = 0.0 ! ! D111 D(60,25,26,27) 168.3405 -DE/DX = 0.0 ! ! D112 D(60,25,26,40) 52.1055 -DE/DX = 0.0 ! ! D113 D(60,25,26,61) -66.4133 -DE/DX = 0.0 ! ! D114 D(25,26,27,28) -153.1872 -DE/DX = 0.0 ! ! D115 D(25,26,27,42) 89.2926 -DE/DX = 0.0 ! ! D116 D(25,26,27,62) -37.1845 -DE/DX = 0.0 ! ! D117 D(40,26,27,28) -35.3062 -DE/DX = 0.0 ! ! D118 D(40,26,27,42) -152.8264 -DE/DX = 0.0 ! ! D119 D(40,26,27,62) 80.6965 -DE/DX = 0.0 ! ! D120 D(61,26,27,28) 81.4775 -DE/DX = 0.0 ! ! D121 D(61,26,27,42) -36.0427 -DE/DX = 0.0 ! ! D122 D(61,26,27,62) -162.5198 -DE/DX = 0.0 ! ! D123 D(25,26,40,29) 148.202 -DE/DX = 0.0 ! ! D124 D(27,26,40,29) 23.0434 -DE/DX = 0.0 ! ! D125 D(61,26,40,29) -93.4404 -DE/DX = 0.0 ! ! D126 D(26,27,28,29) 34.3941 -DE/DX = 0.0 ! ! D127 D(26,27,28,41) -80.0529 -DE/DX = 0.0 ! ! D128 D(26,27,28,63) 155.3016 -DE/DX = 0.0 ! ! D129 D(42,27,28,29) 156.4295 -DE/DX = 0.0 ! ! D130 D(42,27,28,41) 41.9824 -DE/DX = 0.0 ! ! D131 D(42,27,28,63) -82.663 -DE/DX = 0.0 ! ! D132 D(62,27,28,29) -81.2913 -DE/DX = 0.0 ! ! D133 D(62,27,28,41) 164.2616 -DE/DX = 0.0 ! ! D134 D(62,27,28,63) 39.6162 -DE/DX = 0.0 ! ! D135 D(26,27,42,70) -72.4066 -DE/DX = 0.0 ! ! D136 D(28,27,42,70) 174.5834 -DE/DX = 0.0 ! ! D137 D(62,27,42,70) 53.1424 -DE/DX = 0.0 ! ! D138 D(27,28,29,30) 96.5094 -DE/DX = 0.0 ! ! D139 D(27,28,29,40) -22.204 -DE/DX = 0.0 ! ! D140 D(27,28,29,64) -143.1744 -DE/DX = 0.0 ! ! D141 D(41,28,29,30) -147.4094 -DE/DX = 0.0 ! ! D142 D(41,28,29,40) 93.8773 -DE/DX = 0.0 ! ! D143 D(41,28,29,64) -27.0932 -DE/DX = 0.0 ! ! D144 D(63,28,29,30) -25.3537 -DE/DX = 0.0 ! ! D145 D(63,28,29,40) -144.067 -DE/DX = 0.0 ! ! D146 D(63,28,29,64) 94.9625 -DE/DX = 0.0 ! ! D147 D(27,28,41,69) -34.1472 -DE/DX = 0.0 ! ! D148 D(29,28,41,69) -145.2271 -DE/DX = 0.0 ! ! D149 D(63,28,41,69) 91.979 -DE/DX = 0.0 ! ! D150 D(28,29,30,31) 80.6493 -DE/DX = 0.0 ! ! D151 D(28,29,30,39) -101.4347 -DE/DX = 0.0 ! ! D152 D(40,29,30,31) -161.3396 -DE/DX = 0.0 ! ! D153 D(40,29,30,39) 16.5764 -DE/DX = 0.0 ! ! D154 D(64,29,30,31) -41.4504 -DE/DX = 0.0 ! ! D155 D(64,29,30,39) 136.4656 -DE/DX = 0.0 ! ! D156 D(28,29,40,26) -0.5192 -DE/DX = 0.0 ! ! D157 D(30,29,40,26) -122.5123 -DE/DX = 0.0 ! ! D158 D(64,29,40,26) 120.0312 -DE/DX = 0.0 ! ! D159 D(29,30,31,32) -0.6946 -DE/DX = 0.0 ! ! D160 D(29,30,31,37) 178.8595 -DE/DX = 0.0 ! ! D161 D(39,30,31,32) -178.9941 -DE/DX = 0.0 ! ! D162 D(39,30,31,37) 0.5601 -DE/DX = 0.0 ! ! D163 D(29,30,39,38) -178.7563 -DE/DX = 0.0 ! ! D164 D(29,30,39,68) 0.4841 -DE/DX = 0.0 ! ! D165 D(31,30,39,38) -0.5032 -DE/DX = 0.0 ! ! D166 D(31,30,39,68) 178.7373 -DE/DX = 0.0 ! ! D167 D(30,31,32,33) 179.1365 -DE/DX = 0.0 ! ! D168 D(37,31,32,33) -0.3331 -DE/DX = 0.0 ! ! D169 D(30,31,37,35) -179.5525 -DE/DX = 0.0 ! ! D170 D(30,31,37,38) -0.4737 -DE/DX = 0.0 ! ! D171 D(32,31,37,35) 0.0173 -DE/DX = 0.0 ! ! D172 D(32,31,37,38) 179.0962 -DE/DX = 0.0 ! ! D173 D(31,32,33,34) 0.2078 -DE/DX = 0.0 ! ! D174 D(31,32,33,65) -179.6619 -DE/DX = 0.0 ! ! D175 D(32,33,34,35) 0.2501 -DE/DX = 0.0 ! ! D176 D(65,33,34,35) -179.8791 -DE/DX = 0.0 ! ! D177 D(33,34,35,36) 178.2012 -DE/DX = 0.0 ! ! D178 D(33,34,35,37) -0.5835 -DE/DX = 0.0 ! ! D179 D(34,35,36,66) 164.4574 -DE/DX = 0.0 ! ! D180 D(34,35,36,67) 16.7199 -DE/DX = 0.0 ! ! D181 D(37,35,36,66) -16.799 -DE/DX = 0.0 ! ! D182 D(37,35,36,67) -164.5365 -DE/DX = 0.0 ! ! D183 D(34,35,37,31) 0.4613 -DE/DX = 0.0 ! ! D184 D(34,35,37,38) -178.3597 -DE/DX = 0.0 ! ! D185 D(36,35,37,31) -178.2809 -DE/DX = 0.0 ! ! D186 D(36,35,37,38) 2.8981 -DE/DX = 0.0 ! ! D187 D(31,37,38,39) 0.1744 -DE/DX = 0.0 ! ! D188 D(35,37,38,39) 179.0433 -DE/DX = 0.0 ! ! D189 D(37,38,39,30) 0.2049 -DE/DX = 0.0 ! ! D190 D(37,38,39,68) -178.9983 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Stoichiometry C21H26N7O14P2(1-) Framework group C1[X(C21H26N7O14P2)] Deg. of freedom 204 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.187149 -.462701 -1.510318 2 8 0 2.587704 -.151343 -2.208410 3 15 0 3.782625 .938352 -1.972761 4 8 0 4.441873 .312920 -.592830 5 6 0 5.663422 -.353852 -.536871 6 6 0 5.555875 -1.548024 .402251 7 6 0 4.638887 -2.692067 -.049010 8 6 0 3.308603 -2.224313 .514144 9 6 0 3.751730 -1.652961 1.854968 10 7 0 2.805860 -.585868 2.312785 11 6 0 1.691587 -.987655 2.940118 12 6 0 .753235 -.087161 3.352909 13 6 0 .965609 1.261849 3.093107 14 6 0 2.089006 1.658022 2.396231 15 6 0 2.282279 3.125103 2.107982 16 7 0 2.917754 3.431212 .976151 17 8 0 1.881203 3.927503 2.915770 18 6 0 2.995744 .694929 2.002801 19 8 0 5.009399 -1.132441 1.669332 20 8 0 2.284860 -3.135279 .633916 21 8 0 5.000909 -3.898621 .573569 22 8 0 4.754506 .766752 -3.052896 23 8 0 3.204466 2.230310 -1.563876 24 8 0 .183000 .230170 -2.562587 25 6 0 -1.177594 -.103251 -2.600698 26 6 0 -2.013100 .980721 -1.936812 27 6 0 -1.974074 1.075581 -.405785 28 6 0 -3.336956 1.700241 -.112848 29 6 0 -4.223094 1.088849 -1.198713 30 7 0 -4.969110 -.084163 -.739395 31 6 0 -6.123918 -.070189 -.018100 32 7 0 -6.809596 .978035 .430884 33 6 0 -7.890869 .616311 1.077188 34 7 0 -8.344124 -.610191 1.319586 35 6 0 -7.639253 -1.639300 .870667 36 7 0 -8.069789 -2.894332 1.142166 37 6 0 -6.465110 -1.394263 .156372 38 7 0 -5.544984 -2.220128 -.454613 39 6 0 -4.691593 -1.407992 -.966369 40 8 0 -3.379754 .686392 -2.225794 41 8 0 -3.287478 3.078247 -.329349 42 8 0 -.983215 1.889922 .112695 43 8 0 1.088135 .241961 -.198774 44 8 0 .969860 -1.930219 -1.495198 45 1 0 6.418333 .322761 -.146984 46 1 0 5.981500 -.678181 -1.518922 47 1 0 6.551708 -1.924683 .604840 48 1 0 4.600644 -2.798028 -1.126576 49 1 0 3.013367 -1.387309 -.080419 50 1 0 3.748694 -2.396025 2.640064 51 1 0 1.590595 -2.043335 3.086682 52 1 0 -.128282 -.430926 3.857246 53 1 0 .261987 2.006513 3.410519 54 1 0 2.982997 4.406363 .780412 55 1 0 2.970381 2.828474 .159880 56 1 0 3.875883 .919233 1.442882 57 1 0 1.663633 -2.929535 -.076239 58 1 0 5.739928 -4.279350 .121045 59 1 0 -1.355006 -1.066580 -2.138097 60 1 0 -1.468582 -.172504 -3.640981 61 1 0 -1.752280 1.942980 -2.358893 62 1 0 -1.925867 .074563 .019033 63 1 0 -3.705573 1.480490 .882830 64 1 0 -4.944361 1.811407 -1.548286 65 1 0 -8.499516 1.413631 1.464983 66 1 0 -7.679395 -3.641376 .613665 67 1 0 -9.014357 -2.988497 1.438892 68 1 0 -3.835921 -1.697069 -1.535989 69 1 0 -2.416107 3.371139 -.082891 70 1 0 -.129302 1.445432 -.001195 --------------------------------------------------------------------- Rotational constants (GHZ): .1265348 .0376678 .0369106 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -79.95292 -79.93875 -20.52058 -20.50157 -20.49852 Alpha occ. eigenvalues -- -20.47683 -20.46544 -20.46263 -20.46250 -20.45809 Alpha occ. eigenvalues -- -20.45015 -20.44396 -20.38145 -20.37520 -20.36225 Alpha occ. eigenvalues -- -20.35503 -15.62046 -15.55390 -15.52099 -15.49111 Alpha occ. eigenvalues -- -15.49048 -15.48648 -15.47886 -11.27626 -11.27507 Alpha occ. eigenvalues -- -11.26868 -11.26484 -11.25680 -11.25598 -11.24105 Alpha occ. eigenvalues -- -11.24099 -11.23951 -11.22552 -11.21793 -11.20977 Alpha occ. eigenvalues -- -11.20636 -11.20163 -11.19907 -11.19659 -11.19461 Alpha occ. eigenvalues -- -11.19437 -11.19240 -11.18765 -11.17936 -7.47534 Alpha occ. eigenvalues -- -7.46080 -5.37439 -5.37384 -5.37283 -5.35968 Alpha occ. eigenvalues -- -5.35918 -5.35822 -1.36995 -1.35060 -1.31355 Alpha occ. eigenvalues -- -1.31108 -1.30805 -1.30408 -1.29417 -1.29324 Alpha occ. eigenvalues -- -1.28615 -1.27758 -1.26359 -1.24423 -1.24305 Alpha occ. eigenvalues -- -1.18827 -1.18510 -1.15993 -1.13793 -1.12877 Alpha occ. eigenvalues -- -1.12750 -1.11987 -1.09421 -1.08115 -1.02722 Alpha occ. eigenvalues -- -.98400 -.97457 -.96578 -.95857 -.94992 Alpha occ. eigenvalues -- -.87765 -.86509 -.85058 -.82878 -.82460 Alpha occ. eigenvalues -- -.81293 -.76885 -.76494 -.74700 -.73691 Alpha occ. eigenvalues -- -.73495 -.72473 -.70659 -.70019 -.69384 Alpha occ. eigenvalues -- -.67647 -.66862 -.66117 -.65189 -.64594 Alpha occ. eigenvalues -- -.64356 -.63376 -.62766 -.62566 -.61488 Alpha occ. eigenvalues -- -.61418 -.60911 -.60190 -.58767 -.58521 Alpha occ. eigenvalues -- -.57915 -.57347 -.57212 -.56711 -.55929 Alpha occ. eigenvalues -- -.55859 -.55093 -.54887 -.54764 -.53651 Alpha occ. eigenvalues -- -.53603 -.53023 -.52187 -.51843 -.51363 Alpha occ. eigenvalues -- -.50512 -.50301 -.49686 -.49113 -.48853 Alpha occ. eigenvalues -- -.48250 -.48068 -.47910 -.47539 -.47046 Alpha occ. eigenvalues -- -.46809 -.45417 -.45345 -.44540 -.43998 Alpha occ. eigenvalues -- -.43428 -.42310 -.41705 -.40847 -.40201 Alpha occ. eigenvalues -- -.39676 -.39477 -.38997 -.38689 -.37875 Alpha occ. eigenvalues -- -.37506 -.37205 -.36603 -.36288 -.35893 Alpha occ. eigenvalues -- -.34907 -.34521 -.34385 -.34227 -.33836 Alpha occ. eigenvalues -- -.33276 -.33101 -.32544 -.32118 -.31751 Alpha occ. eigenvalues -- -.30972 -.30646 -.30068 -.29651 -.29433 Alpha occ. eigenvalues -- -.28502 -.24371 Alpha virt. eigenvalues -- .13056 .16720 .19853 .22353 .28341 Alpha virt. eigenvalues -- .28412 .29060 .29577 .29735 .31991 Alpha virt. eigenvalues -- .32287 .32966 .33982 .34365 .34739 Alpha virt. eigenvalues -- .34951 .35192 .35486 .35834 .36289 Alpha virt. eigenvalues -- .36680 .37050 .37151 .38811 .39153 Alpha virt. eigenvalues -- .39420 .40136 .40684 .40984 .41145 Alpha virt. eigenvalues -- .41443 .42404 .43049 .43555 .44248 Alpha virt. eigenvalues -- .44827 .45275 .45747 .45946 .46410 Alpha virt. eigenvalues -- .47030 .47546 .48053 .48554 .48894 Alpha virt. eigenvalues -- .49900 .50092 .50451 .50524 .51401 Alpha virt. eigenvalues -- .51570 .51698 .52672 .53323 .53616 Alpha virt. eigenvalues -- .54079 .54334 .54801 .55386 .55896 Alpha virt. eigenvalues -- .56732 .57112 .57928 .58142 .58938 Alpha virt. eigenvalues -- .59254 .59425 .59955 .61192 .61656 Alpha virt. eigenvalues -- .62212 .62991 .63787 .64399 .64554 Alpha virt. eigenvalues -- .65694 .66474 .68215 .68492 .71649 Alpha virt. eigenvalues -- .72081 .72356 .73215 .73577 .74279 Alpha virt. eigenvalues -- .75431 .76868 .78668 .79575 .79826 Alpha virt. eigenvalues -- .80033 .80969 .81632 .81847 .83014 Alpha virt. eigenvalues -- .83330 .83861 .84527 .85143 .85489 Alpha virt. eigenvalues -- .85906 .86554 .87637 .87938 .88284 Alpha virt. eigenvalues -- .88329 .88672 .88871 .89092 .89294 Alpha virt. eigenvalues -- .90878 .91023 .91376 .91548 .91802 Alpha virt. eigenvalues -- .92874 .93012 .93173 .94342 .94482 Alpha virt. eigenvalues -- .94981 .95363 .95900 .95959 .97690 Alpha virt. eigenvalues -- .98303 .98988 .99172 .99544 1.00260 Alpha virt. eigenvalues -- 1.00765 1.01211 1.01646 1.02333 1.02542 Alpha virt. eigenvalues -- 1.03662 1.04468 1.05006 1.05049 1.05258 Alpha virt. eigenvalues -- 1.05855 1.06576 1.06683 1.07169 1.07338 Alpha virt. eigenvalues -- 1.07724 1.08553 1.08821 1.09492 1.10414 Alpha virt. eigenvalues -- 1.10492 1.10782 1.11605 1.12020 1.13472 Alpha virt. eigenvalues -- 1.13963 1.14356 1.14451 1.14610 1.14987 Alpha virt. eigenvalues -- 1.15439 1.15702 1.16217 1.17446 1.17526 Alpha virt. eigenvalues -- 1.18257 1.18362 1.18907 1.19393 1.19511 Alpha virt. eigenvalues -- 1.20490 1.21009 1.22248 1.22345 1.22588 Alpha virt. eigenvalues -- 1.22751 1.23556 1.23841 1.24249 1.24592 Alpha virt. eigenvalues -- 1.24820 1.25168 1.25651 1.26118 1.26725 Alpha virt. eigenvalues -- 1.26939 1.27194 1.27672 1.28024 1.28625 Alpha virt. eigenvalues -- 1.29098 1.29808 1.29973 1.30647 1.30927 Alpha virt. eigenvalues -- 1.31044 1.32089 1.32641 1.33149 1.33837 Alpha virt. eigenvalues -- 1.34166 1.34583 1.35488 1.36086 1.36457 Alpha virt. eigenvalues -- 1.37331 1.38264 1.38875 1.39239 1.40461 Alpha virt. eigenvalues -- 1.40597 1.41143 1.41604 1.42154 1.42492 Alpha virt. eigenvalues -- 1.42838 1.43499 1.44091 1.44385 1.45007 Alpha virt. eigenvalues -- 1.45268 1.45430 1.46446 1.47156 1.47795 Alpha virt. eigenvalues -- 1.48223 1.48821 1.50123 1.50730 1.51356 Alpha virt. eigenvalues -- 1.52658 1.53522 1.53986 1.54351 1.55109 Alpha virt. eigenvalues -- 1.55822 1.56382 1.56930 1.57904 1.57911 Alpha virt. eigenvalues -- 1.58525 1.60003 1.60445 1.60714 1.61701 Alpha virt. eigenvalues -- 1.62576 1.63081 1.64260 1.64468 1.65342 Alpha virt. eigenvalues -- 1.66437 1.66959 1.67002 1.67407 1.68416 Alpha virt. eigenvalues -- 1.68741 1.69484 1.70237 1.71379 1.71935 Alpha virt. eigenvalues -- 1.72044 1.73030 1.73406 1.74318 1.74865 Alpha virt. eigenvalues -- 1.75168 1.76121 1.76350 1.77573 1.77835 Alpha virt. eigenvalues -- 1.78711 1.79134 1.79855 1.80280 1.81095 Alpha virt. eigenvalues -- 1.81289 1.81492 1.82386 1.82563 1.82916 Alpha virt. eigenvalues -- 1.83984 1.84334 1.85466 1.85727 1.86593 Alpha virt. eigenvalues -- 1.86906 1.87369 1.88141 1.89462 1.90027 Alpha virt. eigenvalues -- 1.90431 1.91513 1.91927 1.93250 1.94244 Alpha virt. eigenvalues -- 1.94623 1.95166 1.97083 1.97505 1.97627 Alpha virt. eigenvalues -- 1.98350 1.98949 1.99683 2.01359 2.02141 Alpha virt. eigenvalues -- 2.03844 2.04531 2.04728 2.05393 2.07035 Alpha virt. eigenvalues -- 2.07918 2.08974 2.09745 2.10282 2.11050 Alpha virt. eigenvalues -- 2.11326 2.11771 2.12357 2.13366 2.13793 Alpha virt. eigenvalues -- 2.14779 2.15037 2.15537 2.16054 2.16132 Alpha virt. eigenvalues -- 2.17113 2.18513 2.18929 2.19975 2.20467 Alpha virt. eigenvalues -- 2.20790 2.21512 2.21643 2.22709 2.23435 Alpha virt. eigenvalues -- 2.24210 2.24380 2.25412 2.26172 2.26712 Alpha virt. eigenvalues -- 2.26806 2.26980 2.27405 2.28056 2.28447 Alpha virt. eigenvalues -- 2.29370 2.29543 2.30419 2.31149 2.31536 Alpha virt. eigenvalues -- 2.31597 2.31946 2.32340 2.33514 2.34193 Alpha virt. eigenvalues -- 2.34686 2.34830 2.35842 2.36454 2.36764 Alpha virt. eigenvalues -- 2.37366 2.38461 2.38771 2.39795 2.40486 Alpha virt. eigenvalues -- 2.40649 2.41831 2.43254 2.43620 2.44160 Alpha virt. eigenvalues -- 2.45300 2.46202 2.46493 2.47456 2.48525 Alpha virt. eigenvalues -- 2.49333 2.49658 2.50355 2.51442 2.51971 Alpha virt. eigenvalues -- 2.52529 2.53317 2.53582 2.54058 2.55570 Alpha virt. eigenvalues -- 2.55764 2.56077 2.56904 2.57427 2.58735 Alpha virt. eigenvalues -- 2.59010 2.59287 2.59966 2.60448 2.61587 Alpha virt. eigenvalues -- 2.61816 2.62489 2.62961 2.63691 2.64093 Alpha virt. eigenvalues -- 2.64729 2.65288 2.65997 2.66185 2.67100 Alpha virt. eigenvalues -- 2.67487 2.67857 2.68675 2.69092 2.70320 Alpha virt. eigenvalues -- 2.70620 2.71300 2.71649 2.72636 2.73468 Alpha virt. eigenvalues -- 2.74155 2.75961 2.77891 2.78518 2.79052 Alpha virt. eigenvalues -- 2.79410 2.80236 2.80597 2.81470 2.83801 Alpha virt. eigenvalues -- 2.84242 2.84664 2.85425 2.85763 2.86266 Alpha virt. eigenvalues -- 2.87447 2.87972 2.89100 2.89516 2.90169 Alpha virt. eigenvalues -- 2.90175 2.91952 2.93160 2.94976 2.96667 Alpha virt. eigenvalues -- 2.96746 2.99779 3.00979 3.01112 3.01756 Alpha virt. eigenvalues -- 3.02355 3.03740 3.04063 3.05044 3.05537 Alpha virt. eigenvalues -- 3.06005 3.06286 3.08090 3.08450 3.08497 Alpha virt. eigenvalues -- 3.08916 3.10428 3.11279 3.11384 3.12103 Alpha virt. eigenvalues -- 3.12120 3.14316 3.14966 3.15964 3.17093 Alpha virt. eigenvalues -- 3.17675 3.18527 3.20047 3.20792 3.21560 Alpha virt. eigenvalues -- 3.22957 3.24007 3.24218 3.25444 3.25860 Alpha virt. eigenvalues -- 3.26624 3.28149 3.29538 3.30519 3.31272 Alpha virt. eigenvalues -- 3.32846 3.36335 3.36942 3.37871 3.38454 Alpha virt. eigenvalues -- 3.39981 3.40733 3.42868 3.43511 3.44301 Alpha virt. eigenvalues -- 3.45456 3.46497 3.47223 3.47826 3.48746 Alpha virt. eigenvalues -- 3.50829 3.52517 3.55676 3.55931 3.63084 Alpha virt. eigenvalues -- 3.69851 3.76698 3.91302 3.94874 4.02937 Alpha virt. eigenvalues -- 4.05809 4.31578 4.35218 4.35906 4.39778 Alpha virt. eigenvalues -- 4.42094 4.45592 4.49781 4.50485 4.53174 Alpha virt. eigenvalues -- 4.54674 4.55580 4.57069 4.57934 4.59079 Alpha virt. eigenvalues -- 4.61719 4.64161 4.64351 4.67253 4.69929 Alpha virt. eigenvalues -- 4.71111 4.75041 4.75898 4.77795 4.79291 Alpha virt. eigenvalues -- 4.80457 4.83530 4.84328 4.88030 4.90611 Alpha virt. eigenvalues -- 4.92776 4.97021 4.99157 5.00764 5.02484 Alpha virt. eigenvalues -- 5.04165 5.05790 5.14721 5.19916 5.22233 Alpha virt. eigenvalues -- 5.24112 5.24948 5.30191 Condensed to atoms (all electrons): Mulliken atomic charges: 1 1 P 1.723503 2 O -.839219 3 P 1.648142 4 O -.802976 5 C .024029 6 C .130378 7 C .058668 8 C .156565 9 C .408418 10 N -.667297 11 C .187738 12 C -.289338 13 C -.057708 14 C -.188800 15 C .765017 16 N -.968808 17 O -.634416 18 C .252040 19 O -.689353 20 O -.820804 21 O -.751880 22 O -.773164 23 O -.831669 24 O -.723970 25 C .000290 26 C .156029 27 C .125490 28 C .110627 29 C .425474 30 N -.784987 31 C .678571 32 N -.621729 33 C .265779 34 N -.657979 35 C .614971 36 N -.911205 37 C .071041 38 N -.594574 39 C .313385 40 O -.700616 41 O -.780203 42 O -.852778 43 O -.927779 44 O -.848405 45 H .154584 46 H .199235 47 H .168485 48 H .215403 49 H .235897 50 H .205461 51 H .278494 52 H .239200 53 H .277674 54 H .381791 55 H .532120 56 H .347874 57 H .529970 58 H .437678 59 H .174191 60 H .177242 61 H .200274 62 H .166364 63 H .183362 64 H .225609 65 H .198085 66 H .399521 67 H .384010 68 H .251474 69 H .480751 70 H .558757 Sum of Mulliken charges= -1.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 P 1.723503 2 O -.839219 3 P 1.648142 4 O -.802976 5 C .377848 6 C .298863 7 C .274072 8 C .392462 9 C .613879 10 N -.667297 11 C .466232 12 C -.050138 13 C .219965 14 C -.188800 15 C .765017 16 N -.054898 17 O -.634416 18 C .599914 19 O -.689353 20 O -.290834 21 O -.314202 22 O -.773164 23 O -.831669 24 O -.723970 25 C .351723 26 C .356303 27 C .291855 28 C .293988 29 C .651083 30 N -.784987 31 C .678571 32 N -.621729 33 C .463864 34 N -.657979 35 C .614971 36 N -.127674 37 C .071041 38 N -.594574 39 C .564858 40 O -.700616 41 O -.299452 42 O -.294021 43 O -.927779 44 O -.848405 45 H .000000 46 H .000000 47 H .000000 48 H .000000 49 H .000000 50 H .000000 51 H .000000 52 H .000000 53 H .000000 54 H .000000 55 H .000000 56 H .000000 57 H .000000 58 H .000000 59 H .000000 60 H .000000 61 H .000000 62 H .000000 63 H .000000 64 H .000000 65 H .000000 66 H .000000 67 H .000000 68 H .000000 69 H .000000 70 H .000000 Sum of Mulliken charges= -1.00000 Entering OneElI... OneElI was handed 5499482 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = .1000D-12 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 4062360 working-precision words and 14816 shell-pairs Electronic moments (au): -344.00000000 -1.25277721 -2.76445033 3.81682833 -21767.74395384 -4274.43975632 -3679.05928813 -7.20017180 23.78472034 -2.60006697 98701.12701616 -385.21090401 -1887.17923070 -5560.92108787 25052.72764528 -8782.41177887 -7416.60706121 -3202.66156567 -5227.38934235 -1038.47275997 ******************************-91085.78300870*************** 208278.94494632 3505.31571629-16381.89202210 -6012.76913767 -7441.68359480******************************-36973.38153811 52345.20759711-16481.29681411-15243.44997927 Electronic spatial extent (au): = 29721.2430 Nuclear moments (au): 343.00000000 .00000000 .00000000 .00000000 21524.81646454 4047.95932649 3457.42028821 .00000000 .00000000 .00000000-98304.12682087 308.22422942 1977.65508762 5544.29579811-25405.01016149 8859.55329506 7286.25296886 3096.54038207 5135.08736989 1085.46547456 ***************128757.37540381 77675.45215328151435.38890793 *************** -3151.32975599 15816.78960303 6857.09927124 7007.55278743251188.71623611121255.76522017 31761.74440942 -51575.74339466 15834.67453219 14481.26363089 Total moments (au): -1.00000000 -1.25277721 -2.76445033 3.81682833 -242.92748930 -226.48042982 -221.63899991 -7.20017180 23.78472034 -2.60006697 397.00019528 -76.98667459 90.47585692 -16.62528976 -352.28251621 77.14151619 -130.35409235 -106.12118360 -92.30197246 46.99271459 -78614.38535663-14946.19452444-13410.33085541 269.14905299 1858.13319922 353.98596030 -565.10241907 844.33013357 -434.13080737-13818.96950736-17169.17052222 -5211.63712869 769.46420245 -646.62228192 -762.18634838 Charge= -1.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.1842 Y= -7.0265 Z= 9.7014 Tot= 12.3947 Quadrupole moment (field-independent basis, Debye-Ang): XX= -326.7458 YY= -304.6239 ZZ= -298.1120 XY= -9.6845 XZ= 31.9913 YZ= -3.4972 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -16.9185 YY= 5.2033 ZZ= 11.7152 XY= -9.6845 XZ= 31.9913 YZ= -3.4972 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 282.5694 YYY= -54.7961 ZZZ= 64.3972 XYY= -11.8332 XXY= -250.7411 XXZ= 54.9064 XZZ= -92.7810 YZZ= -75.5330 YYZ= -65.6970 XYZ= 33.4476 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX=-29609.9447 YYYY= -5629.4531 ZZZZ= -5050.9732 XXXY= 101.3744 XXXZ= 699.8620 YYYX= 133.3281 YYYZ= -212.8447 ZZZX= 318.0152 ZZZY= -163.5145 XXYY= -5204.8861 XXZZ= -6466.7324 YYZZ= -1962.9523 XXYZ= 289.8171 YYXZ= -243.5489 ZZXY= -287.0759 N-N= 6.579519194290D+03 E-N=-2.008202509541D+04 KE= 2.916810286978D+03 Entering OneElI... OneElI was handed 4460212 working-precision words. Calculate electrostatic properties NBasis = 720 MinDer = 0 MaxDer = 0 NGrid = 70 NMatD = 1 Requested accuracy = .1000D-12 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 3176356 working-precision words and 12523 shell-pairs -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -.596906 .576235 .020671 2 Atom -.898058 .294826 .603233 3 Atom -.044246 .107862 -.063616 4 Atom -.794832 .614529 .180302 5 Atom -.231346 .013798 .217548 6 Atom .097375 .197396 -.294772 7 Atom .135013 -.239906 .104893 8 Atom -.064230 .031265 .032965 9 Atom -.277729 -.099521 .377250 10 Atom -.010243 -.128688 .138931 11 Atom -.027246 .320612 -.293366 12 Atom .029042 .130157 -.159198 13 Atom .088761 .277588 -.366349 14 Atom .028496 .116509 -.145005 15 Atom -.377331 .252062 .125269 16 Atom .582243 -.339994 -.242249 17 Atom -.540269 .499997 .040272 18 Atom .253516 .030937 -.284453 19 Atom -.953985 1.158320 -.204335 20 Atom -.908768 .431938 .476830 21 Atom .007084 -.622630 .615546 22 Atom -.208961 .444282 -.235321 23 Atom .312857 -.556157 .243300 24 Atom -1.545397 .903257 .642139 25 Atom -.357691 .145741 .211950 26 Atom -.397863 .214319 .183544 27 Atom -.090389 .025817 .064572 28 Atom .155237 -.287008 .131771 29 Atom .058747 -.050793 -.007954 30 Atom -.067243 -.338747 .405989 31 Atom -.093452 .316577 -.223124 32 Atom -.342728 .716968 -.374240 33 Atom .046184 .216025 -.262209 34 Atom .515824 -.498542 -.017282 35 Atom .115778 .152077 -.267855 36 Atom -.154882 -.496957 .651839 37 Atom -.001584 .028181 -.026598 38 Atom -.433282 .855177 -.421895 39 Atom .150017 -.039776 -.110241 40 Atom -1.572877 1.378008 .194869 41 Atom -.246890 -1.282216 1.529106 42 Atom -1.381823 .170074 1.211749 43 Atom .316740 .237148 -.553888 44 Atom .338558 -.853813 .515255 45 Atom -.074840 -.025794 .100634 46 Atom .102589 .105605 -.208194 47 Atom -.233394 .099691 .133703 48 Atom .157969 .138326 -.296295 49 Atom .112008 -.125321 .013313 50 Atom .142681 -.056204 -.086477 51 Atom .142745 -.302787 .160042 52 Atom -.167588 .101556 .066032 53 Atom -.051872 -.063958 .115830 54 Atom .241605 -.413132 .171527 55 Atom .189969 -.051421 -.138549 56 Atom -.165769 .116780 .048989 57 Atom -.068538 .173242 -.104704 58 Atom -.207831 .125531 .082300 59 Atom .125806 -.198596 .072790 60 Atom .112716 .158543 -.271260 61 Atom .121936 -.205983 .084046 62 Atom .147001 -.229520 .082519 63 Atom .106047 .126393 -.232440 64 Atom -.055142 -.050880 .106022 65 Atom .004927 -.106871 .101944 66 Atom .113143 -.172711 .059568 67 Atom -.374684 .179897 .194787 68 Atom -.152756 .119922 .032834 69 Atom -.355217 .135313 .219904 70 Atom -.264676 .071701 .192975 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom .133148 -.022850 .417644 2 Atom -.865703 .359771 .002976 3 Atom -.587312 -.844740 .462114 4 Atom 1.223637 -.486622 .484027 5 Atom .211041 -.037465 .074378 6 Atom .087669 .216321 -.212358 7 Atom .096460 -.090018 .187188 8 Atom -.226555 .051314 -.106544 9 Atom .144424 .180154 -.082097 10 Atom -.037571 .166069 .035314 11 Atom -.152718 -.179198 -.006525 12 Atom -.006456 -.158808 -.035482 13 Atom -.040700 -.371368 -.056959 14 Atom .002339 -.159325 -.027555 15 Atom -.007601 -.317379 .058951 16 Atom -.192958 .377381 .113698 17 Atom .560460 -.301521 -1.127959 18 Atom -.098054 -.406573 -.025787 19 Atom -.665364 1.249550 -.538257 20 Atom -1.180676 -.785701 .400189 21 Atom 1.461668 .737028 .572488 22 Atom .112061 .589455 -.095252 23 Atom .446984 .146390 -.388600 24 Atom -.154732 -.667417 .514418 25 Atom -.107742 -.021412 -.050588 26 Atom -.113082 -.158768 -.028576 27 Atom -.172357 -.071905 -.084770 28 Atom -.038465 -.043111 .048149 29 Atom -.149503 .324609 .033200 30 Atom -.000933 .467116 -.030457 31 Atom .013726 -.145043 .006841 32 Atom .376873 -.009767 -.197574 33 Atom -.054029 -.299663 .048727 34 Atom .192129 -.503761 -.121255 35 Atom -.026460 -.360214 .052060 36 Atom -.160561 .600573 -.172074 37 Atom .065673 -.021662 -.041831 38 Atom .039084 .012452 .021228 39 Atom .043575 -.287226 -.016164 40 Atom -.025433 .787793 -.742484 41 Atom -.822625 -.592402 .255117 42 Atom -.426401 -.566356 -.796589 43 Atom .166042 .072526 -.595987 44 Atom -.155469 -.074060 .139981 45 Atom -.191049 -.119201 -.100586 46 Atom .050676 .123720 -.130312 47 Atom .150677 -.073325 .024927 48 Atom .004352 -.011490 -.044387 49 Atom .101575 -.082162 .206051 50 Atom .005946 .013044 .227963 51 Atom -.042381 .018806 .074421 52 Atom -.125745 .199802 .075680 53 Atom .218961 .100839 -.096083 54 Atom -.043715 .028642 .122234 55 Atom .002797 .031027 -.222889 56 Atom -.084983 .199130 .055461 57 Atom .047192 -.288807 .096974 58 Atom .260354 .308724 -.128025 59 Atom -.076631 .034514 .173686 60 Atom -.008388 -.120553 -.029736 61 Atom -.095340 .040535 .159382 62 Atom .010479 -.010929 .157301 63 Atom -.036022 .142182 .086482 64 Atom .200492 -.095423 .104350 65 Atom .199651 .102872 -.127441 66 Atom .169495 .160121 -.263845 67 Atom -.067717 .201470 .009361 68 Atom .106144 .214882 -.074646 69 Atom -.213950 -.182610 -.050863 70 Atom .206585 .044214 -.053470 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -.6214 -134.332 -47.933 -44.808 .9782 -.1564 .1365 1 P(31) Bbb -.1868 -40.379 -14.408 -13.469 -.1932 -.4449 .8745 Bcc .8082 174.711 62.341 58.277 .0760 .8818 .4655 Baa -1.4042 101.606 36.256 33.892 .8797 .4485 -.1583 2 O(17) Bbb .5326 -38.536 -13.750 -12.854 -.1600 .5925 .7895 Bcc .8716 -63.070 -22.505 -21.038 -.4479 .6692 -.5930 Baa -.9090 -196.507 -70.119 -65.548 .7344 .1206 .6679 3 P(31) Bbb -.3587 -77.535 -27.666 -25.863 .2912 .8329 -.4707 Bcc 1.2676 274.042 97.785 91.411 .6131 -.5402 -.5765 Baa -1.7335 125.433 44.758 41.840 .8079 -.4889 .3291 4 O(17) Bbb .3813 -27.591 -9.845 -9.203 -.3701 .0137 .9289 Bcc 1.3522 -97.841 -34.912 -32.636 .4586 .8722 .1698 Baa -.3613 -48.477 -17.298 -16.170 .8548 -.5048 .1202 5 C(13) Bbb .1165 15.630 5.577 5.213 .5095 .7723 -.3795 Bcc .2448 32.847 11.721 10.957 .0987 .3856 .9174 Baa -.4697 -63.033 -22.492 -21.026 -.3805 .3255 .8656 6 C(13) Bbb .1929 25.884 9.236 8.634 .9221 .0621 .3820 Bcc .2768 37.149 13.256 12.391 .0706 .9435 -.3238 Baa -.3539 -47.492 -16.946 -15.842 -.2484 .8789 -.4073 7 C(13) Bbb .1334 17.901 6.387 5.971 .7581 .4381 .4831 Bcc .2205 29.592 10.559 9.871 -.6030 .1888 .7751 Baa -.2509 -33.672 -12.015 -11.232 .7554 .6466 .1061 8 C(13) Bbb -.0201 -2.695 -.962 -.899 -.3583 .2721 .8931 Bcc .2710 36.367 12.977 12.131 -.5486 .7127 -.4372 Baa -.4080 -54.743 -19.534 -18.260 .8517 -.4637 -.2439 9 C(13) Bbb -.0194 -2.608 -.930 -.870 .4710 .8816 -.0314 Bcc .4274 57.351 20.464 19.130 .2296 -.0881 .9693 Baa -.1743 -6.724 -2.399 -2.243 .5512 .7447 -.3762 10 N(14) Bbb -.0723 -2.788 -.995 -.930 -.6359 .6669 .3885 Bcc .2466 9.512 3.394 3.173 .5402 .0251 .8412 Baa -.3917 -52.568 -18.757 -17.535 .4752 .1099 .8730 11 C(13) Bbb .0083 1.114 .397 .372 .7925 .3775 -.4789 Bcc .3834 51.454 18.360 17.163 -.3822 .9195 .0923 Baa -.2527 -33.911 -12.100 -11.312 .4906 .0886 .8669 12 C(13) Bbb .1126 15.114 5.393 5.041 .7750 -.4992 -.3876 Bcc .1401 18.798 6.707 6.270 .3984 .8620 -.3136 Baa -.5800 -77.828 -27.771 -25.961 .4877 .0809 .8693 13 C(13) Bbb .2798 37.544 13.397 12.523 .3226 .9085 -.2655 Bcc .3002 40.284 14.374 13.437 .8113 -.4099 -.4170 Baa -.2411 -32.351 -11.544 -10.791 .5074 .0629 .8594 14 C(13) Bbb .1043 13.993 4.993 4.668 -.5822 .7603 .2881 Bcc .1368 18.358 6.551 6.124 .6353 .6466 -.4224 Baa -.5313 -71.296 -25.440 -23.782 .8992 -.0241 .4368 15 C(13) Bbb .2078 27.882 9.949 9.300 .2887 .7830 -.5509 Bcc .3235 43.414 15.491 14.481 -.3287 .6215 .7111 Baa -.5487 -21.160 -7.551 -7.058 .3352 .6706 -.6617 16 N(14) Bbb -.1984 -7.651 -2.730 -2.552 -.1424 .7304 .6680 Bcc .7470 28.812 10.281 9.611 .9313 -.1297 .3404 Baa -.9427 68.214 24.341 22.754 -.4510 .6519 .6096 17 O(17) Bbb -.6611 47.839 17.070 15.957 .8473 .0981 .5220 Bcc 1.6039 -116.054 -41.411 -38.711 .2805 .7520 -.5966 Baa -.5119 -68.687 -24.509 -22.912 .4780 .1276 .8690 18 C(13) Bbb .0276 3.700 1.320 1.234 .0834 .9783 -.1896 Bcc .4843 64.987 23.189 21.677 .8744 -.1631 -.4570 Baa -1.8999 137.473 49.054 45.856 .8140 .0758 -.5759 19 O(17) Bbb .0935 -6.766 -2.414 -2.257 .4216 .6049 .6755 Bcc 1.8064 -130.707 -46.639 -43.599 -.3995 .7927 -.4605 Baa -1.7106 123.777 44.167 41.288 .8695 .4357 .2326 20 O(17) Bbb .0828 -5.990 -2.137 -1.998 .0902 -.6032 .7925 Bcc 1.6278 -117.787 -42.029 -39.290 -.4856 .6681 .5638 Baa -1.8031 130.472 46.556 43.521 -.6302 .7763 .0083 21 O(17) Bbb -.0743 5.377 1.919 1.794 -.4574 -.3799 .8040 Bcc 1.8774 -135.849 -48.474 -45.314 .6273 .5029 .5946 Baa -.8286 59.957 21.394 19.999 -.6955 .1143 .7094 22 O(17) Bbb .3656 -26.453 -9.439 -8.824 .6960 -.1382 .7046 Bcc .4630 -33.504 -11.955 -11.176 .1786 .9838 .0165 Baa -.8961 64.845 23.138 21.630 -.3620 .8671 .3422 23 O(17) Bbb .3922 -28.382 -10.127 -9.467 .2605 -.2584 .9303 Bcc .5039 -36.463 -13.011 -12.163 .8950 .4259 -.1323 Baa -1.7330 125.397 44.745 41.828 .9629 .0039 .2697 24 O(17) Bbb .3281 -23.744 -8.472 -7.920 -.1946 -.6825 .7045 Bcc 1.4048 -101.654 -36.272 -33.908 -.1868 .7309 .6564 Baa -.3814 -51.183 -18.264 -17.073 .9774 .2048 .0527 25 C(13) Bbb .1401 18.795 6.706 6.269 -.2018 .8283 .5227 Bcc .2414 32.389 11.557 10.804 .0634 -.5216 .8509 Baa -.4586 -61.541 -21.959 -20.528 .9547 .1708 .2436 26 C(13) Bbb .2241 30.068 10.729 10.029 -.2428 -.0262 .9697 Bcc .2345 31.473 11.230 10.498 -.1720 .9850 -.0164 Baa -.2512 -33.711 -12.029 -11.245 .7553 .5693 .3248 27 C(13) Bbb .0905 12.144 4.333 4.051 -.4791 .1415 .8663 Bcc .1607 21.567 7.696 7.194 -.4472 .8099 -.3796 Baa -.2950 -39.583 -14.124 -13.203 .0747 .9917 -.1043 28 C(13) Bbb .0993 13.331 4.757 4.447 .6253 .0349 .7796 Bcc .1956 26.251 9.367 8.756 .7768 -.1235 -.6175 Baa -.3542 -47.533 -16.961 -15.855 .6520 .3923 -.6488 29 C(13) Bbb -.0172 -2.312 -.825 -.771 -.1039 .8939 .4360 Bcc .3714 49.845 17.786 16.626 .7510 -.2169 .6236 Baa -.3637 -14.027 -5.005 -4.679 .7160 -.5291 -.4554 30 N(14) Bbb -.3300 -12.726 -4.541 -4.245 .4624 .8482 -.2584 Bcc .6937 26.754 9.546 8.924 .5230 -.0256 .8519 Baa -.3174 -42.597 -15.200 -14.209 .5443 -.0208 .8386 31 C(13) Bbb .0004 .053 .019 .018 .8383 -.0246 -.5447 Bcc .3170 42.544 15.181 14.191 .0320 .9995 .0041 Baa -.4918 -18.966 -6.768 -6.326 .8061 -.3315 -.4903 32 N(14) Bbb -.3751 -14.465 -5.162 -4.825 .5130 -.0218 .8581 Bcc .8668 33.432 11.929 11.152 .2951 .9432 -.1525 Baa -.4453 -59.755 -21.322 -19.932 .5188 -.0206 .8546 33 C(13) Bbb .1509 20.247 7.225 6.754 .5850 .7375 -.3374 Bcc .2944 39.508 14.097 13.178 -.6234 .6750 .3947 Baa -.5367 -20.699 -7.386 -6.905 -.1303 .9860 .1038 34 N(14) Bbb -.3206 -12.363 -4.412 -4.124 .5194 -.0213 .8543 Bcc .8573 33.063 11.798 11.029 .8445 .1652 -.5094 Baa -.4857 -65.170 -23.254 -21.739 .5116 -.0488 .8578 35 C(13) Bbb .1408 18.896 6.742 6.303 .2392 .9670 -.0877 Bcc .3448 46.275 16.512 15.436 .8252 -.2500 -.5064 Baa -.5695 -21.966 -7.838 -7.327 .5313 .8349 -.1436 36 N(14) Bbb -.4368 -16.848 -6.012 -5.620 .7045 -.5296 -.4724 Bcc 1.0064 38.814 13.850 12.947 .4705 -.1498 .8696 Baa -.0590 -7.914 -2.824 -2.640 -.5834 .6641 .4677 37 C(13) Bbb -.0389 -5.219 -1.862 -1.741 .5804 -.0619 .8120 Bcc .0979 13.133 4.686 4.381 .5681 .7451 -.3493 Baa -.4417 -17.033 -6.078 -5.682 .8541 -.0172 -.5198 38 N(14) Bbb -.4151 -16.009 -5.712 -5.340 .5192 -.0302 .8541 Bcc .8567 33.042 11.790 11.022 .0304 .9994 .0169 Baa -.2958 -39.699 -14.165 -13.242 .5439 -.0396 .8382 39 C(13) Bbb -.0448 -6.011 -2.145 -2.005 -.0781 .9922 .0976 Bcc .3406 45.710 16.310 15.247 .8355 .1185 -.5365 Baa -1.8919 136.896 48.848 45.664 .9232 -.0783 -.3764 40 O(17) Bbb .1132 -8.189 -2.922 -2.732 .3662 .4765 .7992 Bcc 1.7787 -128.707 -45.926 -42.932 -.1168 .8757 -.4686 Baa -1.7378 125.746 44.869 41.944 .4893 .8719 .0206 41 O(17) Bbb -.0527 3.814 1.361 1.272 .8044 -.4603 .3755 Bcc 1.7905 -129.560 -46.230 -43.217 -.3369 .1671 .9266 Baa -1.6971 122.804 43.819 40.963 .9094 .3207 .2649 42 O(17) Bbb .0238 -1.721 -.614 -.574 -.4029 .8374 .3694 Bcc 1.6734 -121.083 -43.205 -40.389 -.1033 -.4427 .8907 Baa -.8906 64.441 22.994 21.495 -.1180 .4775 .8707 43 O(17) Bbb .2876 -20.811 -7.426 -6.942 .9174 -.2831 .2796 Bcc .6030 -43.630 -15.568 -14.554 .3800 .8318 -.4047 Baa -.8858 64.093 22.870 21.379 .1199 .9885 -.0924 44 O(17) Bbb .3189 -23.076 -8.234 -7.697 .9146 -.0738 .3976 Bcc .5669 -41.017 -14.636 -13.682 -.3862 .1322 .9129 Baa -.3032 -161.750 -57.716 -53.954 .7021 .6142 .3603 45 H(1) Bbb .1418 75.672 27.002 25.242 -.6084 .7803 -.1447 Bcc .1613 86.077 30.715 28.712 -.3700 -.1176 .9216 Baa -.2996 -159.864 -57.043 -53.325 -.3152 .3260 .8913 46 H(1) Bbb .1437 76.694 27.366 25.582 .8133 -.3912 .4308 Bcc .1559 83.170 29.677 27.743 .4891 .8606 -.1418 Baa -.3051 -162.780 -58.084 -54.298 .9194 -.3529 .1737 47 H(1) Bbb .1465 78.176 27.895 26.077 -.0623 .3053 .9502 Bcc .1586 84.604 30.189 28.221 .3884 .8844 -.2587 Baa -.3010 -160.623 -57.314 -53.578 .0239 .1002 .9947 48 H(1) Bbb .1411 75.263 26.856 25.105 -.3041 .9485 -.0883 Bcc .1600 85.360 30.459 28.473 .9523 .3004 -.0532 Baa -.3134 -167.218 -59.667 -55.778 -.2932 .7737 -.5617 49 H(1) Bbb .1482 79.059 28.210 26.371 .8414 .4878 .2327 Bcc .1652 88.159 31.457 29.407 -.4540 .4044 .7940 Baa -.2999 -159.998 -57.091 -53.370 -.0123 -.6830 .7303 50 H(1) Bbb .1349 71.955 25.675 24.002 .8592 -.3808 -.3416 Bcc .1650 88.043 31.416 29.368 .5115 .6233 .5915 Baa -.3188 -170.101 -60.696 -56.739 .0966 .9829 -.1566 51 H(1) Bbb .1422 75.893 27.081 25.315 .9222 -.1476 -.3573 Bcc .1766 94.208 33.616 31.424 .3743 .1099 .9208 Baa -.3319 -177.082 -63.187 -59.068 .8206 .3207 -.4730 52 H(1) Bbb .1509 80.536 28.737 26.864 -.3254 .9426 .0745 Bcc .1809 96.546 34.450 32.204 .4698 .0928 .8779 Baa -.3213 -171.422 -61.168 -57.180 -.6668 .6807 .3034 53 H(1) Bbb .1556 83.012 29.621 27.690 -.3233 -.6311 .7051 Bcc .1657 88.410 31.547 29.490 .6715 .3720 .6409 Baa -.4411 -235.353 -83.980 -78.505 .0709 .9776 -.1984 54 H(1) Bbb .1893 100.993 36.037 33.688 -.3281 .2107 .9209 Bcc .2518 134.360 47.943 44.818 .9420 -.0002 .3357 Baa -.3234 -172.541 -61.567 -57.554 -.0501 .6334 .7722 55 H(1) Bbb .1273 67.927 24.238 22.658 .2641 .7541 -.6014 Bcc .1961 104.614 37.329 34.896 .9632 -.1738 .2051 Baa -.3088 -164.754 -58.788 -54.956 .8343 .2318 -.5003 56 H(1) Bbb .1404 74.895 26.724 24.982 -.2703 .9628 -.0046 Bcc .1684 89.860 32.064 29.974 .4806 .1391 .8659 Baa -.3947 -210.607 -75.150 -70.251 .6666 -.1789 .7236 57 H(1) Bbb .1654 88.257 31.492 29.439 .5673 .7515 -.3367 Bcc .2293 122.350 43.658 40.812 -.4836 .6350 .6025 Baa -.5308 -283.232 -101.064 -94.476 .7809 -.4029 -.4773 58 H(1) Bbb .2338 124.719 44.503 41.602 .0025 .7662 -.6426 Bcc .2971 158.513 56.561 52.874 .6246 .5006 .5994 Baa -.2999 -160.006 -57.094 -53.372 .1936 .8823 -.4291 59 H(1) Bbb .1420 75.750 27.030 25.268 .9683 -.1016 .2280 Bcc .1579 84.256 30.065 28.105 -.1576 .4597 .8740 Baa -.3080 -164.343 -58.642 -54.819 .2761 .0661 .9589 60 H(1) Bbb .1474 78.659 28.068 26.238 .9611 -.0127 -.2758 Bcc .1606 85.684 30.574 28.581 -.0061 .9977 -.0670 Baa -.3018 -161.012 -57.453 -53.708 .2375 .8887 -.3921 61 H(1) Bbb .1470 78.425 27.984 26.160 .9541 -.1377 .2659 Bcc .1548 82.587 29.469 27.548 -.1823 .4372 .8807 Baa -.2955 -157.659 -56.256 -52.589 -.0313 .9225 -.3848 62 H(1) Bbb .1417 75.594 26.974 25.216 .7245 .2862 .6271 Bcc .1538 82.064 29.283 27.374 .6886 -.2591 -.6773 Baa -.3046 -162.500 -57.984 -54.204 -.3363 -.2122 .9175 63 H(1) Bbb .1453 77.547 27.671 25.867 .2266 .9274 .2976 Bcc .1592 84.953 30.313 28.337 .9141 -.3080 .2638 Baa -.3024 -161.327 -57.566 -53.813 -.6682 .6683 -.3269 64 H(1) Bbb .1436 76.597 27.332 25.550 .7267 .4921 -.4792 Bcc .1588 84.730 30.234 28.263 .1594 .5578 .8145 Baa -.3216 -171.582 -61.225 -57.234 -.5666 .7409 .3606 65 H(1) Bbb .1544 82.378 29.395 27.478 .6455 .6711 -.3646 Bcc .1672 89.204 31.830 29.755 .5121 -.0261 .8585 Baa -.4404 -234.975 -83.845 -78.379 -.3843 .7600 .5241 66 H(1) Bbb .1801 96.084 34.285 32.050 .7378 .5941 -.3205 Bcc .2603 138.890 49.559 46.329 .5550 -.2635 .7890 Baa -.4460 -237.968 -84.913 -79.378 .9480 .1071 -.2996 67 H(1) Bbb .1853 98.888 35.286 32.985 -.0541 .9822 .1798 Bcc .2607 139.080 49.627 46.392 .3136 -.1543 .9370 Baa -.3313 -176.770 -63.076 -58.964 .8019 -.2763 -.5298 68 H(1) Bbb .1563 83.417 29.765 27.825 .3439 .9385 .0310 Bcc .1750 93.352 33.310 31.139 .4887 -.2071 .8475 Baa -.4860 -259.291 -92.521 -86.490 .9066 .3334 .2586 69 H(1) Bbb .2113 112.720 40.221 37.599 -.2708 .9298 -.2494 Bcc .2747 146.571 52.300 48.891 -.3236 .1561 .9332 Baa -.3699 -197.374 -70.428 -65.837 .8949 -.4321 -.1113 70 H(1) Bbb .1522 81.197 28.973 27.084 .4236 .7442 .5164 Bcc .2177 116.177 41.455 38.753 -.1403 -.5093 .8491 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Jul 15 05:05:15 2005, MaxMem= 6291456 cpu: 6.1 Merz-Kollman atomic radii used. Atom Element Radius 1 15 1.80 2 8 1.40 3 15 1.80 4 8 1.40 5 6 1.50 6 6 1.50 7 6 1.50 8 6 1.50 9 6 1.50 10 7 1.50 11 6 1.50 12 6 1.50 13 6 1.50 14 6 1.50 15 6 1.50 16 7 1.50 17 8 1.40 18 6 1.50 19 8 1.40 20 8 1.40 21 8 1.40 22 8 1.40 23 8 1.40 24 8 1.40 25 6 1.50 26 6 1.50 27 6 1.50 28 6 1.50 29 6 1.50 30 7 1.50 31 6 1.50 32 7 1.50 33 6 1.50 34 7 1.50 35 6 1.50 36 7 1.50 37 6 1.50 38 7 1.50 39 6 1.50 40 8 1.40 41 8 1.40 42 8 1.40 43 8 1.40 44 8 1.40 45 1 1.20 46 1 1.20 47 1 1.20 48 1 1.20 49 1 1.20 50 1 1.20 51 1 1.20 52 1 1.20 53 1 1.20 54 1 1.20 55 1 1.20 56 1 1.20 57 1 1.20 58 1 1.20 59 1 1.20 60 1 1.20 61 1 1.20 62 1 1.20 63 1 1.20 64 1 1.20 65 1 1.20 66 1 1.20 67 1 1.20 68 1 1.20 69 1 1.20 70 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= .200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at 1.187149 -.462701 -1.510318 Atomic Center 2 is at 2.587704 -.151343 -2.208410 Atomic Center 3 is at 3.782625 .938352 -1.972761 Atomic Center 4 is at 4.441873 .312920 -.592830 Atomic Center 5 is at 5.663422 -.353852 -.536871 Atomic Center 6 is at 5.555875 -1.548024 .402251 Atomic Center 7 is at 4.638887 -2.692067 -.049010 Atomic Center 8 is at 3.308603 -2.224313 .514144 Atomic Center 9 is at 3.751730 -1.652961 1.854968 Atomic Center 10 is at 2.805860 -.585868 2.312785 Atomic Center 11 is at 1.691587 -.987655 2.940118 Atomic Center 12 is at .753235 -.087161 3.352909 Atomic Center 13 is at .965609 1.261849 3.093107 Atomic Center 14 is at 2.089006 1.658022 2.396231 Atomic Center 15 is at 2.282279 3.125103 2.107982 Atomic Center 16 is at 2.917754 3.431212 .976151 Atomic Center 17 is at 1.881203 3.927503 2.915770 Atomic Center 18 is at 2.995744 .694929 2.002801 Atomic Center 19 is at 5.009399 -1.132441 1.669332 Atomic Center 20 is at 2.284860 -3.135279 .633916 Atomic Center 21 is at 5.000909 -3.898621 .573569 Atomic Center 22 is at 4.754506 .766752 -3.052896 Atomic Center 23 is at 3.204466 2.230310 -1.563876 Atomic Center 24 is at .183000 .230170 -2.562587 Atomic Center 25 is at -1.177594 -.103251 -2.600698 Atomic Center 26 is at -2.013100 .980721 -1.936812 Atomic Center 27 is at -1.974074 1.075581 -.405785 Atomic Center 28 is at -3.336956 1.700241 -.112848 Atomic Center 29 is at -4.223094 1.088849 -1.198713 Atomic Center 30 is at -4.969110 -.084163 -.739395 Atomic Center 31 is at -6.123918 -.070189 -.018100 Atomic Center 32 is at -6.809596 .978035 .430884 Atomic Center 33 is at -7.890869 .616311 1.077188 Atomic Center 34 is at -8.344124 -.610191 1.319586 Atomic Center 35 is at -7.639253 -1.639300 .870667 Atomic Center 36 is at -8.069789 -2.894332 1.142166 Atomic Center 37 is at -6.465110 -1.394263 .156372 Atomic Center 38 is at -5.544984 -2.220128 -.454613 Atomic Center 39 is at -4.691593 -1.407992 -.966369 Atomic Center 40 is at -3.379754 .686392 -2.225794 Atomic Center 41 is at -3.287478 3.078247 -.329349 Atomic Center 42 is at -.983215 1.889922 .112695 Atomic Center 43 is at 1.088135 .241961 -.198774 Atomic Center 44 is at .969860 -1.930219 -1.495198 Atomic Center 45 is at 6.418333 .322761 -.146984 Atomic Center 46 is at 5.981500 -.678181 -1.518922 Atomic Center 47 is at 6.551708 -1.924683 .604840 Atomic Center 48 is at 4.600644 -2.798028 -1.126576 Atomic Center 49 is at 3.013367 -1.387309 -.080419 Atomic Center 50 is at 3.748694 -2.396025 2.640064 Atomic Center 51 is at 1.590595 -2.043335 3.086682 Atomic Center 52 is at -.128282 -.430926 3.857246 Atomic Center 53 is at .261987 2.006513 3.410519 Atomic Center 54 is at 2.982997 4.406363 .780412 Atomic Center 55 is at 2.970381 2.828474 .159880 Atomic Center 56 is at 3.875883 .919233 1.442882 Atomic Center 57 is at 1.663633 -2.929535 -.076239 Atomic Center 58 is at 5.739928 -4.279350 .121045 Atomic Center 59 is at -1.355006 -1.066580 -2.138097 Atomic Center 60 is at -1.468582 -.172504 -3.640981 Atomic Center 61 is at -1.752280 1.942980 -2.358893 Atomic Center 62 is at -1.925867 .074563 .019033 Atomic Center 63 is at -3.705573 1.480490 .882830 Atomic Center 64 is at -4.944361 1.811407 -1.548286 Atomic Center 65 is at -8.499516 1.413631 1.464983 Atomic Center 66 is at -7.679395 -3.641376 .613665 Atomic Center 67 is at -9.014357 -2.988497 1.438892 Atomic Center 68 is at -3.835921 -1.697069 -1.535989 Atomic Center 69 is at -2.416107 3.371139 -.082891 Atomic Center 70 is at -.129302 1.445432 -.001195 ESP Fit Center 71 is at .587455 -1.501401 .705956 ESP Fit Center 72 is at -.232525 -1.079353 .478316 ESP Fit Center 73 is at -.013509 -1.439509 .478316 ESP Fit Center 74 is at .294554 -1.727220 .478316 ESP Fit Center 75 is at -.555064 -1.096815 .196432 ESP Fit Center 76 is at -.361866 -1.481504 .196432 ESP Fit Center 77 is at -.085160 -1.811270 .196432 ESP Fit Center 78 is at -.657425 -1.486523 -.132009 ESP Fit Center 79 is at -.964763 -1.296356 -.498045 ESP Fit Center 80 is at -.774939 -1.677574 -.498045 ESP Fit Center 81 is at .868157 2.028351 -1.302218 ESP Fit Center 82 is at .868157 2.028351 -1.718418 ESP Fit Center 83 is at 3.141102 -2.040408 -1.718418 ESP Fit Center 84 is at 1.187149 1.980188 -2.128941 ESP Fit Center 85 is at 1.400081 1.835203 -2.522590 ESP Fit Center 86 is at 2.640635 -1.991767 -2.888627 ESP Fit Center 87 is at -.085160 -1.811270 -3.217067 ESP Fit Center 88 is at 1.921490 -2.165096 -3.217067 ESP Fit Center 89 is at 2.294295 -1.949857 -3.217067 ESP Fit Center 90 is at .294554 -1.727220 -3.498952 ESP Fit Center 91 is at .668817 -1.921148 -3.498952 ESP Fit Center 92 is at 1.081522 -2.006909 -3.498952 ESP Fit Center 93 is at 1.502061 -1.978143 -3.498952 ESP Fit Center 94 is at 1.899245 -1.836984 -3.498952 ESP Fit Center 95 is at 2.243616 -1.593901 -3.498952 ESP Fit Center 96 is at .587455 -1.501401 -3.726592 ESP Fit Center 97 is at .978877 -1.643867 -3.726592 ESP Fit Center 98 is at 1.395420 -1.643867 -3.726592 ESP Fit Center 99 is at 1.786843 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4.772811 .566461 ESP Fit Center 463 is at 1.116907 4.430764 .566461 ESP Fit Center 464 is at .952562 4.047795 .566461 ESP Fit Center 465 is at .868672 3.639584 .566461 ESP Fit Center 466 is at 4.608238 2.254600 .566461 ESP Fit Center 467 is at 4.810484 2.618978 .566461 ESP Fit Center 468 is at 4.935242 3.016608 .566461 ESP Fit Center 469 is at 4.857901 3.431212 .172515 ESP Fit Center 470 is at 4.812541 3.848287 .172515 ESP Fit Center 471 is at 4.678584 4.245859 .172515 ESP Fit Center 472 is at 1.255325 4.431463 .172515 ESP Fit Center 473 is at 1.079167 4.050704 .172515 ESP Fit Center 474 is at .988980 3.640979 .172515 ESP Fit Center 475 is at .988980 3.221446 .172515 ESP Fit Center 476 is at 1.079167 2.811720 .172515 ESP Fit Center 477 is at 1.255325 2.430962 .172515 ESP Fit Center 478 is at 4.678584 2.616566 .172515 ESP Fit Center 479 is at 4.812541 3.014138 .172515 ESP Fit Center 480 is at 4.663840 3.431212 -.190547 ESP Fit Center 481 is at 4.613102 3.849078 -.190547 ESP Fit Center 482 is at 4.463836 4.242659 -.190547 ESP Fit Center 483 is at 1.610790 4.589082 -.190547 ESP Fit Center 484 is at 1.371671 4.242659 -.190547 ESP Fit Center 485 is at 1.222406 3.849078 -.190547 ESP Fit Center 486 is at 1.171668 3.431212 -.190547 ESP Fit Center 487 is at 1.222406 3.013347 -.190547 ESP Fit Center 488 is at 4.613102 3.013347 -.190547 ESP Fit Center 489 is at 4.402678 3.431212 -.508774 ESP Fit Center 490 is at 4.342528 3.849564 -.508774 ESP Fit Center 491 is at 4.166952 4.234023 -.508774 ESP Fit Center 492 is at 1.668556 4.234023 -.508774 ESP Fit Center 493 is at 1.492979 3.849564 -.508774 ESP Fit Center 494 is at 1.432830 3.431212 -.508774 ESP Fit Center 495 is at 4.005667 3.852672 -.769936 ESP Fit Center 496 is at 3.779954 4.217211 -.769936 ESP Fit Center 497 is at 2.214661 4.362257 -.769936 ESP Fit Center 498 is at 1.925808 4.045399 -.769936 ESP Fit Center 499 is at 1.770922 3.645592 -.769936 ESP Fit Center 500 is at 3.319571 4.127181 -.963996 ESP Fit Center 501 is at 2.917754 4.234848 -.963996 ESP Fit Center 502 is at 2.515936 4.127181 -.963996 ESP Fit Center 503 is at 2.221785 3.833030 -.963996 ESP Fit Center 504 is at 1.881203 3.927503 4.875770 ESP Fit Center 505 is at 2.288710 3.927503 4.832939 ESP Fit Center 506 is at 2.084957 4.280415 4.832939 ESP Fit Center 507 is at 1.677450 4.280415 4.832939 ESP Fit Center 508 is at 1.473696 3.927503 4.832939 ESP Fit Center 509 is at 1.677450 3.574592 4.832939 ESP Fit Center 510 is at 2.084957 3.574592 4.832939 ESP Fit Center 511 is at 2.678407 3.927503 4.706319 ESP Fit Center 512 is at 2.571602 4.326105 4.706319 ESP Fit Center 513 is at 2.279805 4.617902 4.706319 ESP Fit Center 514 is at 1.881203 4.724707 4.706319 ESP Fit Center 515 is at 1.482601 4.617902 4.706319 ESP Fit Center 516 is at 1.190804 4.326105 4.706319 ESP Fit Center 517 is at 1.083999 3.927503 4.706319 ESP Fit Center 518 is at 1.190804 3.528901 4.706319 ESP Fit Center 519 is at 1.482601 3.237105 4.706319 ESP Fit Center 520 is at 1.881203 3.130300 4.706319 ESP Fit Center 521 is at 2.279805 3.237105 4.706319 ESP Fit Center 522 is at 2.571602 3.528901 4.706319 ESP Fit Center 523 is at 3.033262 3.927503 4.501443 ESP Fit Center 524 is at 2.955466 4.343675 4.501443 ESP Fit Center 525 is at 2.732585 4.703641 4.501443 ESP Fit Center 526 is at 2.394720 4.958784 4.501443 ESP Fit Center 527 is at 1.987502 5.074648 4.501443 ESP Fit Center 528 is at 1.565927 5.035583 4.501443 ESP Fit Center 529 is at 1.186932 4.846866 4.501443 ESP Fit Center 530 is at .901703 4.533984 4.501443 ESP Fit Center 531 is at .748760 4.139194 4.501443 ESP Fit Center 532 is at .748760 3.715813 4.501443 ESP Fit Center 533 is at .901703 3.321022 4.501443 ESP Fit Center 534 is at 1.186932 3.008140 4.501443 ESP Fit Center 535 is at 1.565927 2.819423 4.501443 ESP Fit Center 536 is at 1.987502 2.780359 4.501443 ESP Fit Center 537 is at 2.394720 2.896222 4.501443 ESP Fit Center 538 is at 2.732585 3.151366 4.501443 ESP Fit Center 539 is at 2.955466 3.511332 4.501443 ESP Fit Center 540 is at 3.337767 3.927503 4.227266 ESP Fit Center 541 is at 3.278766 4.337865 4.227266 ESP Fit Center 542 is at 3.106543 4.714981 4.227266 ESP Fit Center 543 is at 2.835050 5.028301 4.227266 ESP Fit Center 544 is at 2.486282 5.252440 4.227266 ESP Fit Center 545 is at 2.088494 5.369241 4.227266 ESP Fit Center 546 is at 1.673912 5.369241 4.227266 ESP Fit Center 547 is at 1.276125 5.252440 4.227266 ESP Fit Center 548 is at .927357 5.028301 4.227266 ESP Fit Center 549 is at .655864 4.714981 4.227266 ESP Fit Center 550 is at .483640 4.337865 4.227266 ESP Fit Center 551 is at .424639 3.927503 4.227266 ESP Fit Center 552 is at .483640 3.517142 4.227266 ESP Fit Center 553 is at 2.835050 2.826706 4.227266 ESP Fit Center 554 is at 3.106543 3.140025 4.227266 ESP Fit Center 555 is at 3.278766 3.517142 4.227266 ESP Fit Center 556 is at 3.578613 3.927503 3.895770 ESP Fit Center 557 is at 3.525286 4.349632 3.895770 ESP Fit Center 558 is at 3.368655 4.745237 3.895770 ESP Fit Center 559 is at 3.118562 5.089460 3.895770 ESP Fit Center 560 is at 2.790721 5.360674 3.895770 ESP Fit Center 561 is at 2.405732 5.541836 3.895770 ESP Fit Center 562 is at 1.987784 5.621564 3.895770 ESP Fit Center 563 is at 1.563140 5.594847 3.895770 ESP Fit Center 564 is at 1.158481 5.463366 3.895770 ESP Fit Center 565 is at .799233 5.235380 3.895770 ESP Fit Center 566 is at .507970 4.925216 3.895770 ESP Fit Center 567 is at .302991 4.552362 3.895770 ESP Fit Center 568 is at .197178 4.140245 3.895770 ESP Fit Center 569 is at .197178 3.714761 3.895770 ESP Fit Center 570 is at 3.525286 3.505375 3.895770 ESP Fit Center 571 is at 3.745274 3.927503 3.521443 ESP Fit Center 572 is at 3.698538 4.342298 3.521443 ESP Fit Center 573 is at 3.560673 4.736293 3.521443 ESP Fit Center 574 is at 3.338592 5.089732 3.521443 ESP Fit Center 575 is at 3.043432 5.384893 3.521443 ESP Fit Center 576 is at 2.689993 5.606973 3.521443 ESP Fit Center 577 is at 2.295998 5.744838 3.521443 ESP Fit Center 578 is at 1.881203 5.791574 3.521443 ESP Fit Center 579 is at 1.466408 5.744838 3.521443 ESP Fit Center 580 is at 1.072413 5.606973 3.521443 ESP Fit Center 581 is at .718974 5.384893 3.521443 ESP Fit Center 582 is at .423814 5.089732 3.521443 ESP Fit Center 583 is at .201733 4.736293 3.521443 ESP Fit Center 584 is at .063868 4.342298 3.521443 ESP Fit Center 585 is at .017132 3.927503 3.521443 ESP Fit Center 586 is at 3.784893 4.346537 3.120645 ESP Fit Center 587 is at 3.650306 4.745978 3.120645 ESP Fit Center 588 is at 3.432998 5.107147 3.120645 ESP Fit Center 589 is at 3.143129 5.413158 3.120645 ESP Fit Center 590 is at 2.794254 5.649701 3.120645 ESP Fit Center 591 is at 2.402686 5.805716 3.120645 ESP Fit Center 592 is at 1.986734 5.873907 3.120645 ESP Fit Center 593 is at 1.565847 5.851088 3.120645 ESP Fit Center 594 is at 1.159707 5.738323 3.120645 ESP Fit Center 595 is at .787302 5.540887 3.120645 ESP Fit Center 596 is at .466047 5.268010 3.120645 ESP Fit Center 597 is at .210963 4.932453 3.120645 ESP Fit Center 598 is at .033978 4.549906 3.120645 ESP Fit Center 599 is at -.056633 4.138256 3.120645 ESP Fit Center 600 is at -.056633 3.716751 3.120645 ESP Fit Center 601 is at 3.650306 4.745978 2.710894 ESP Fit Center 602 is at 3.432998 5.107147 2.710894 ESP Fit Center 603 is at 3.143129 5.413158 2.710894 ESP Fit Center 604 is at 2.794254 5.649701 2.710894 ESP Fit Center 605 is at 2.402686 5.805716 2.710894 ESP Fit Center 606 is at 1.986734 5.873907 2.710894 ESP Fit Center 607 is at 1.565847 5.851088 2.710894 ESP Fit Center 608 is at 1.159707 5.738323 2.710894 ESP Fit Center 609 is at .787302 5.540887 2.710894 ESP Fit Center 610 is at .466047 5.268010 2.710894 ESP Fit Center 611 is at .210963 4.932453 2.710894 ESP Fit Center 612 is at .033978 4.549906 2.710894 ESP Fit Center 613 is at -.056633 4.138256 2.710894 ESP Fit Center 614 is at -.056633 3.716751 2.710894 ESP Fit Center 615 is at 3.338592 5.089732 2.310096 ESP Fit Center 616 is at 3.043432 5.384893 2.310096 ESP Fit Center 617 is at 2.689993 5.606973 2.310096 ESP Fit Center 618 is at 2.295998 5.744838 2.310096 ESP Fit Center 619 is at 1.881203 5.791574 2.310096 ESP Fit Center 620 is at 1.466408 5.744838 2.310096 ESP Fit Center 621 is at 1.072413 5.606973 2.310096 ESP Fit Center 622 is at .718974 5.384893 2.310096 ESP Fit Center 623 is at .423814 5.089732 2.310096 ESP Fit Center 624 is at .201733 4.736293 2.310096 ESP Fit Center 625 is at .063868 4.342298 2.310096 ESP Fit Center 626 is at .017132 3.927503 2.310096 ESP Fit Center 627 is at .063868 3.512709 2.310096 ESP Fit Center 628 is at 2.405732 5.541836 1.935770 ESP Fit Center 629 is at 1.987784 5.621564 1.935770 ESP Fit Center 630 is at 1.563140 5.594847 1.935770 ESP Fit Center 631 is at 1.158481 5.463366 1.935770 ESP Fit Center 632 is at .799233 5.235380 1.935770 ESP Fit Center 633 is at .507970 4.925216 1.935770 ESP Fit Center 634 is at .302991 4.552362 1.935770 ESP Fit Center 635 is at .197178 4.140245 1.935770 ESP Fit Center 636 is at .197178 3.714761 1.935770 ESP Fit Center 637 is at 1.673912 5.369241 1.604274 ESP Fit Center 638 is at 1.276125 5.252440 1.604274 ESP Fit Center 639 is at .927357 5.028301 1.604274 ESP Fit Center 640 is at .655864 4.714981 1.604274 ESP Fit Center 641 is at .483640 4.337865 1.604274 ESP Fit Center 642 is at 1.186932 4.846866 1.330096 ESP Fit Center 643 is at .901703 4.533984 1.330096 ESP Fit Center 644 is at 2.995744 .694929 4.102801 ESP Fit Center 645 is at 3.405434 .694929 4.062450 ESP Fit Center 646 is at 3.799379 .694929 3.942948 ESP Fit Center 647 is at 3.691712 1.096747 3.942948 ESP Fit Center 648 is at 4.162441 .694929 3.748887 ESP Fit Center 649 is at 4.083657 1.116389 3.748887 ESP Fit Center 650 is at 3.857944 1.480928 3.748887 ESP Fit Center 651 is at 4.083657 .273470 3.748887 ESP Fit Center 652 is at 4.480668 .694929 3.487725 ESP Fit Center 653 is at 4.420518 1.113281 3.487725 ESP Fit Center 654 is at 4.244942 1.497740 3.487725 ESP Fit Center 655 is at 3.968163 1.817160 3.487725 ESP Fit Center 656 is at 4.420518 .276578 3.487725 ESP Fit Center 657 is at 4.741830 .694929 3.169498 ESP Fit Center 658 is at 4.691092 1.112795 3.169498 ESP Fit Center 659 is at 4.541827 1.506376 3.169498 ESP Fit Center 660 is at 4.302708 1.852799 3.169498 ESP Fit Center 661 is at 3.987634 2.131930 3.169498 ESP Fit Center 662 is at 4.691092 .277064 3.169498 ESP Fit Center 663 is at 4.935891 .694929 2.806436 ESP Fit Center 664 is at 4.890531 1.112004 2.806436 ESP Fit Center 665 is at 4.756574 1.509576 2.806436 ESP Fit Center 666 is at 4.540282 1.869056 2.806436 ESP Fit Center 667 is at 4.251769 2.173636 2.806436 ESP Fit Center 668 is at 4.414774 2.187748 2.412490 ESP Fit Center 669 is at 5.009399 -1.132441 3.629332 ESP Fit Center 670 is at 5.416906 -1.132441 3.586502 ESP Fit Center 671 is at 5.213153 -.779530 3.586502 ESP Fit Center 672 is at 4.805646 -.779530 3.586502 ESP Fit Center 673 is at 5.213153 -1.485352 3.586502 ESP Fit Center 674 is at 5.806603 -1.132441 3.459881 ESP Fit Center 675 is at 5.699798 -.733839 3.459881 ESP Fit Center 676 is at 5.408001 -.442042 3.459881 ESP Fit Center 677 is at 5.009399 -.335237 3.459881 ESP Fit Center 678 is at 4.610797 -.442042 3.459881 ESP Fit Center 679 is at 5.408001 -1.822840 3.459881 ESP Fit Center 680 is at 5.699798 -1.531043 3.459881 ESP Fit Center 681 is at 6.161458 -1.132441 3.255006 ESP Fit Center 682 is at 6.083662 -.716269 3.255006 ESP Fit Center 683 is at 5.860781 -.356304 3.255006 ESP Fit Center 684 is at 5.522916 -.101160 3.255006 ESP Fit Center 685 is at 5.115698 .014704 3.255006 ESP Fit Center 686 is at 4.694123 -.024361 3.255006 ESP Fit Center 687 is at 5.522916 -2.163722 3.255006 ESP Fit Center 688 is at 5.860781 -1.908578 3.255006 ESP Fit Center 689 is at 6.083662 -1.548613 3.255006 ESP Fit Center 690 is at 6.465963 -1.132441 2.980828 ESP Fit Center 691 is at 6.406962 -.722079 2.980828 ESP Fit Center 692 is at 6.234739 -.344963 2.980828 ESP Fit Center 693 is at 5.963246 -.031643 2.980828 ESP Fit Center 694 is at 5.614478 .192496 2.980828 ESP Fit Center 695 is at 5.216690 .309297 2.980828 ESP Fit Center 696 is at 5.614478 -2.457378 2.980828 ESP Fit Center 697 is at 5.963246 -2.233238 2.980828 ESP Fit Center 698 is at 6.234739 -1.919919 2.980828 ESP Fit Center 699 is at 6.406962 -1.542802 2.980828 ESP Fit Center 700 is at 6.706809 -1.132441 2.649332 ESP Fit Center 701 is at 6.653482 -.710312 2.649332 ESP Fit Center 702 is at 6.496851 -.314708 2.649332 ESP Fit Center 703 is at 6.246758 .029516 2.649332 ESP Fit Center 704 is at 5.918917 .300730 2.649332 ESP Fit Center 705 is at 5.533928 .481892 2.649332 ESP Fit Center 706 is at 5.115981 .561619 2.649332 ESP Fit Center 707 is at 5.533928 -2.746774 2.649332 ESP Fit Center 708 is at 5.918917 -2.565611 2.649332 ESP Fit Center 709 is at 6.246758 -2.294398 2.649332 ESP Fit Center 710 is at 6.496851 -1.950174 2.649332 ESP Fit Center 711 is at 6.653482 -1.554570 2.649332 ESP Fit Center 712 is at 6.873470 -1.132441 2.275006 ESP Fit Center 713 is at 6.826734 -.717646 2.275006 ESP Fit Center 714 is at 6.688869 -.323651 2.275006 ESP Fit Center 715 is at 6.466789 .029788 2.275006 ESP Fit Center 716 is at 6.171628 .324948 2.275006 ESP Fit Center 717 is at 5.818189 .547029 2.275006 ESP Fit Center 718 is at 5.424194 .684894 2.275006 ESP Fit Center 719 is at 5.424194 -2.949776 2.275006 ESP Fit Center 720 is at 5.818189 -2.811911 2.275006 ESP Fit Center 721 is at 6.171628 -2.589830 2.275006 ESP Fit Center 722 is at 6.466789 -2.294670 2.275006 ESP Fit Center 723 is at 6.826734 -1.547236 2.275006 ESP Fit Center 724 is at 6.913090 -.713407 1.874208 ESP Fit Center 725 is at 6.778502 -.313967 1.874208 ESP Fit Center 726 is at 6.561194 .047203 1.874208 ESP Fit Center 727 is at 6.271325 .353213 1.874208 ESP Fit Center 728 is at 5.922451 .589756 1.874208 ESP Fit Center 729 is at 5.530882 .745771 1.874208 ESP Fit Center 730 is at 5.922451 .589756 1.464457 ESP Fit Center 731 is at 1.886258 -3.825677 2.424465 ESP Fit Center 732 is at 2.284860 -3.932482 2.424465 ESP Fit Center 733 is at 2.683462 -3.825677 2.424465 ESP Fit Center 734 is at 1.305359 -3.741760 2.219589 ESP Fit Center 735 is at 1.590589 -4.054642 2.219589 ESP Fit Center 736 is at 1.969584 -4.243359 2.219589 ESP Fit Center 737 is at 2.391158 -4.282423 2.219589 ESP Fit Center 738 is at 2.798377 -4.166560 2.219589 ESP Fit Center 739 is at 3.136242 -3.911416 2.219589 ESP Fit Center 740 is at .828296 -3.135279 1.945412 ESP Fit Center 741 is at .887297 -3.545640 1.945412 ESP Fit Center 742 is at 1.059520 -3.922756 1.945412 ESP Fit Center 743 is at 1.331013 -4.236076 1.945412 ESP Fit Center 744 is at 1.679781 -4.460216 1.945412 ESP Fit Center 745 is at 2.077569 -4.577017 1.945412 ESP Fit Center 746 is at 2.492150 -4.577017 1.945412 ESP Fit Center 747 is at 2.889938 -4.460216 1.945412 ESP Fit Center 748 is at 3.238706 -4.236076 1.945412 ESP Fit Center 749 is at 3.510199 -3.922756 1.945412 ESP Fit Center 750 is at .706648 -2.510420 1.613916 ESP Fit Center 751 is at .600834 -2.922537 1.613916 ESP Fit Center 752 is at .600834 -3.348020 1.613916 ESP Fit Center 753 is at .706648 -3.760137 1.613916 ESP Fit Center 754 is at .911626 -4.132991 1.613916 ESP Fit Center 755 is at 1.202890 -4.443155 1.613916 ESP Fit Center 756 is at 1.562138 -4.671141 1.613916 ESP Fit Center 757 is at 1.966797 -4.802623 1.613916 ESP Fit Center 758 is at 2.391441 -4.829339 1.613916 ESP Fit Center 759 is at 2.809388 -4.749611 1.613916 ESP Fit Center 760 is at 3.194377 -4.568449 1.613916 ESP Fit Center 761 is at .827470 -1.973049 1.239589 ESP Fit Center 762 is at .605390 -2.326489 1.239589 ESP Fit Center 763 is at .467525 -2.720484 1.239589 ESP Fit Center 764 is at .420789 -3.135279 1.239589 ESP Fit Center 765 is at .467525 -3.550073 1.239589 ESP Fit Center 766 is at .605390 -3.944069 1.239589 ESP Fit Center 767 is at .827470 -4.297508 1.239589 ESP Fit Center 768 is at 1.122631 -4.592668 1.239589 ESP Fit Center 769 is at 1.476070 -4.814748 1.239589 ESP Fit Center 770 is at 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-5.013491 .429040 ESP Fit Center 790 is at 3.197911 -4.857476 .429040 ESP Fit Center 791 is at 1.122631 -4.592668 .028243 ESP Fit Center 792 is at 1.476070 -4.814748 .028243 ESP Fit Center 793 is at 1.870065 -4.952613 .028243 ESP Fit Center 794 is at 2.284860 -4.999349 .028243 ESP Fit Center 795 is at 2.699654 -4.952613 .028243 ESP Fit Center 796 is at 3.093650 -4.814748 .028243 ESP Fit Center 797 is at 1.562138 -4.671141 -.346084 ESP Fit Center 798 is at 1.966797 -4.802623 -.346084 ESP Fit Center 799 is at 2.391441 -4.829339 -.346084 ESP Fit Center 800 is at 2.809388 -4.749611 -.346084 ESP Fit Center 801 is at 3.194377 -4.568449 -.346084 ESP Fit Center 802 is at 2.077569 -4.577017 -.677580 ESP Fit Center 803 is at 2.492150 -4.577017 -.677580 ESP Fit Center 804 is at 2.889938 -4.460216 -.677580 ESP Fit Center 805 is at 3.238706 -4.236076 -.677580 ESP Fit Center 806 is at 2.391158 -4.282423 -.951757 ESP Fit Center 807 is at 2.798377 -4.166560 -.951757 ESP Fit Center 808 is at 3.136242 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is at 5.954756 -4.999419 1.885065 ESP Fit Center 847 is at 6.226249 -4.686099 1.885065 ESP Fit Center 848 is at 6.398472 -4.308982 1.885065 ESP Fit Center 849 is at 6.698319 -3.898621 1.553569 ESP Fit Center 850 is at 6.644992 -3.476492 1.553569 ESP Fit Center 851 is at 3.422698 -4.523479 1.553569 ESP Fit Center 852 is at 3.627676 -4.896333 1.553569 ESP Fit Center 853 is at 3.918940 -5.206498 1.553569 ESP Fit Center 854 is at 4.278187 -5.434483 1.553569 ESP Fit Center 855 is at 4.682846 -5.565965 1.553569 ESP Fit Center 856 is at 5.107491 -5.592681 1.553569 ESP Fit Center 857 is at 5.525438 -5.512954 1.553569 ESP Fit Center 858 is at 5.910427 -5.331791 1.553569 ESP Fit Center 859 is at 6.238268 -5.060578 1.553569 ESP Fit Center 860 is at 6.644992 -4.320750 1.553569 ESP Fit Center 861 is at 6.818244 -3.483826 1.179242 ESP Fit Center 862 is at 3.321440 -4.707411 1.179242 ESP Fit Center 863 is at 3.543520 -5.060850 1.179242 ESP Fit Center 864 is at 3.838680 -5.356010 1.179242 ESP Fit Center 865 is at 4.192119 -5.578091 1.179242 ESP Fit Center 866 is at 4.586115 -5.715956 1.179242 ESP Fit Center 867 is at 5.000909 -5.762692 1.179242 ESP Fit Center 868 is at 5.415704 -5.715956 1.179242 ESP Fit Center 869 is at 3.330669 -4.903571 .778445 ESP Fit Center 870 is at 3.585753 -5.239128 .778445 ESP Fit Center 871 is at 3.907008 -5.512004 .778445 ESP Fit Center 872 is at 4.279413 -5.709441 .778445 ESP Fit Center 873 is at 4.685554 -5.822205 .778445 ESP Fit Center 874 is at 5.106440 -5.845025 .778445 ESP Fit Center 875 is at 3.330669 -4.903571 .368693 ESP Fit Center 876 is at 3.585753 -5.239128 .368693 ESP Fit Center 877 is at 3.907008 -5.512004 .368693 ESP Fit Center 878 is at 4.279413 -5.709441 .368693 ESP Fit Center 879 is at 4.685554 -5.822205 .368693 ESP Fit Center 880 is at 5.106440 -5.845025 .368693 ESP Fit Center 881 is at 3.321440 -4.707411 -.032104 ESP Fit Center 882 is at 3.543520 -5.060850 -.032104 ESP Fit Center 883 is at 3.838680 -5.356010 -.032104 ESP Fit Center 884 is at 4.192119 -5.578091 -.032104 ESP Fit Center 885 is at 4.586115 -5.715956 -.032104 ESP Fit Center 886 is at 3.422698 -4.523479 -.406431 ESP Fit Center 887 is at 3.627676 -4.896333 -.406431 ESP Fit Center 888 is at 3.918940 -5.206498 -.406431 ESP Fit Center 889 is at 4.278187 -5.434483 -.406431 ESP Fit Center 890 is at 4.682846 -5.565965 -.406431 ESP Fit Center 891 is at 3.775570 -4.686099 -.737927 ESP Fit Center 892 is at 4.047063 -4.999419 -.737927 ESP Fit Center 893 is at 4.395831 -5.223558 -.737927 ESP Fit Center 894 is at 4.021409 -4.505102 -1.012104 ESP Fit Center 895 is at 4.306639 -4.817984 -1.012104 ESP Fit Center 896 is at 4.685633 -5.006701 -1.012104 ESP Fit Center 897 is at 4.602307 -4.589020 -1.216980 ESP Fit Center 898 is at 6.398589 1.188880 -2.072896 ESP Fit Center 899 is at 6.241958 1.584485 -2.072896 ESP Fit Center 900 is at 6.618577 .766752 -2.447222 ESP Fit Center 901 is at 6.571841 1.181546 -2.447222 ESP Fit Center 902 is at 6.433976 1.575542 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is at 6.241958 -.050982 -4.032896 ESP Fit Center 960 is at 6.398589 .344623 -4.032896 ESP Fit Center 961 is at 6.211070 .766752 -4.364392 ESP Fit Center 962 is at 6.152069 1.177113 -4.364392 ESP Fit Center 963 is at 5.979846 1.554229 -4.364392 ESP Fit Center 964 is at 5.708353 1.867549 -4.364392 ESP Fit Center 965 is at 5.359585 2.091689 -4.364392 ESP Fit Center 966 is at 4.961797 2.208490 -4.364392 ESP Fit Center 967 is at 4.547216 2.208490 -4.364392 ESP Fit Center 968 is at 4.149428 2.091689 -4.364392 ESP Fit Center 969 is at 3.800660 1.867549 -4.364392 ESP Fit Center 970 is at 3.529167 -.020726 -4.364392 ESP Fit Center 971 is at 3.800660 -.334046 -4.364392 ESP Fit Center 972 is at 4.149428 -.558185 -4.364392 ESP Fit Center 973 is at 4.547216 -.674987 -4.364392 ESP Fit Center 974 is at 4.961797 -.674987 -4.364392 ESP Fit Center 975 is at 5.359585 -.558185 -4.364392 ESP Fit Center 976 is at 5.708353 -.334046 -4.364392 ESP Fit Center 977 is at 5.979846 -.020726 -4.364392 ESP Fit Center 978 is at 6.152069 .356390 -4.364392 ESP Fit Center 979 is at 5.906565 .766752 -4.638569 ESP Fit Center 980 is at 5.828769 1.182923 -4.638569 ESP Fit Center 981 is at 5.605888 1.542889 -4.638569 ESP Fit Center 982 is at 5.268023 1.798033 -4.638569 ESP Fit Center 983 is at 4.860805 1.913896 -4.638569 ESP Fit Center 984 is at 4.439230 1.874832 -4.638569 ESP Fit Center 985 is at 4.060236 1.686115 -4.638569 ESP Fit Center 986 is at 3.775006 1.373233 -4.638569 ESP Fit Center 987 is at 3.622063 .978442 -4.638569 ESP Fit Center 988 is at 3.622063 .555061 -4.638569 ESP Fit Center 989 is at 3.775006 .160271 -4.638569 ESP Fit Center 990 is at 4.060236 -.152611 -4.638569 ESP Fit Center 991 is at 4.439230 -.341328 -4.638569 ESP Fit Center 992 is at 4.860805 -.380393 -4.638569 ESP Fit Center 993 is at 5.268023 -.264529 -4.638569 ESP Fit Center 994 is at 5.605888 -.009386 -4.638569 ESP Fit Center 995 is at 5.828769 .350580 -4.638569 ESP Fit Center 996 is at 5.551710 .766752 -4.843445 ESP Fit Center 997 is at 5.444905 1.165354 -4.843445 ESP Fit Center 998 is at 5.153108 1.457150 -4.843445 ESP Fit Center 999 is at 4.754506 1.563955 -4.843445 ESP Fit Center 1000 is at 4.355904 1.457150 -4.843445 ESP Fit Center 1001 is at 4.064107 1.165354 -4.843445 ESP Fit Center 1002 is at 3.957302 .766752 -4.843445 ESP Fit Center 1003 is at 4.064107 .368150 -4.843445 ESP Fit Center 1004 is at 4.355904 .076353 -4.843445 ESP Fit Center 1005 is at 4.754506 -.030452 -4.843445 ESP Fit Center 1006 is at 5.153108 .076353 -4.843445 ESP Fit Center 1007 is at 5.444905 .368150 -4.843445 ESP Fit Center 1008 is at 5.162013 .766752 -4.970065 ESP Fit Center 1009 is at 4.958260 1.119663 -4.970065 ESP Fit Center 1010 is at 4.550753 1.119663 -4.970065 ESP Fit Center 1011 is at 4.346999 .766752 -4.970065 ESP Fit Center 1012 is at 4.550753 .413840 -4.970065 ESP Fit Center 1013 is at 4.958260 .413840 -4.970065 ESP Fit Center 1014 is at 4.754506 .766752 -5.012896 ESP Fit Center 1015 is at 4.602029 2.640672 -.252380 ESP Fit Center 1016 is at 4.691918 3.048044 -.583876 ESP Fit Center 1017 is at 4.441825 3.392267 -.583876 ESP Fit Center 1018 is at 4.883936 3.039100 -.958203 ESP Fit Center 1019 is at 4.661856 3.392539 -.958203 ESP Fit Center 1020 is at 4.366695 3.687700 -.958203 ESP Fit Center 1021 is at 4.013256 3.909780 -.958203 ESP Fit Center 1022 is at 3.619261 4.047645 -.958203 ESP Fit Center 1023 is at 2.042237 3.687700 -.958203 ESP Fit Center 1024 is at 1.747077 3.392539 -.958203 ESP Fit Center 1025 is at 1.524997 3.039100 -.958203 ESP Fit Center 1026 is at 1.387132 2.645105 -.958203 ESP Fit Center 1027 is at 1.340396 2.230310 -.958203 ESP Fit Center 1028 is at 4.756261 3.409954 -1.359000 ESP Fit Center 1029 is at 4.466392 3.715965 -1.359000 ESP Fit Center 1030 is at 4.117518 3.952508 -1.359000 ESP Fit Center 1031 is at 3.725949 4.108523 -1.359000 ESP Fit Center 1032 is at 3.309997 4.176714 -1.359000 ESP Fit Center 1033 is at 2.889111 4.153895 -1.359000 ESP Fit Center 1034 is at 2.482970 4.041130 -1.359000 ESP Fit Center 1035 is at 2.110565 3.843694 -1.359000 ESP Fit Center 1036 is at 1.789310 3.570817 -1.359000 ESP Fit Center 1037 is at 1.534226 3.235260 -1.359000 ESP Fit Center 1038 is at 1.357241 2.852713 -1.359000 ESP Fit Center 1039 is at 1.266630 2.441063 -1.359000 ESP Fit Center 1040 is at 4.756261 3.409954 -1.768752 ESP Fit Center 1041 is at 4.466392 3.715965 -1.768752 ESP Fit Center 1042 is at 4.117518 3.952508 -1.768752 ESP Fit Center 1043 is at 3.725949 4.108523 -1.768752 ESP Fit Center 1044 is at 3.309997 4.176714 -1.768752 ESP Fit Center 1045 is at 2.889111 4.153895 -1.768752 ESP Fit Center 1046 is at 2.482970 4.041130 -1.768752 ESP Fit Center 1047 is at 2.110565 3.843694 -1.768752 ESP Fit Center 1048 is at 1.789310 3.570817 -1.768752 ESP Fit Center 1049 is at 1.534226 3.235260 -1.768752 ESP Fit Center 1050 is at 1.357241 2.852713 -1.768752 ESP Fit Center 1051 is at 1.266630 2.441063 -1.768752 ESP Fit Center 1052 is at 4.661856 3.392539 -2.169549 ESP Fit Center 1053 is at 4.366695 3.687700 -2.169549 ESP Fit Center 1054 is at 4.013256 3.909780 -2.169549 ESP Fit Center 1055 is at 3.619261 4.047645 -2.169549 ESP Fit Center 1056 is at 3.204466 4.094381 -2.169549 ESP Fit Center 1057 is at 2.789672 4.047645 -2.169549 ESP Fit Center 1058 is at 2.395676 3.909780 -2.169549 ESP Fit Center 1059 is at 2.042237 3.687700 -2.169549 ESP Fit Center 1060 is at 1.747077 3.392539 -2.169549 ESP Fit Center 1061 is at 1.524997 3.039100 -2.169549 ESP Fit Center 1062 is at 1.387132 2.645105 -2.169549 ESP Fit Center 1063 is at 1.340396 2.230310 -2.169549 ESP Fit Center 1064 is at 4.441825 3.392267 -2.543876 ESP Fit Center 1065 is at 4.113984 3.663481 -2.543876 ESP Fit Center 1066 is at 3.728995 3.844643 -2.543876 ESP Fit Center 1067 is at 3.311048 3.924371 -2.543876 ESP Fit Center 1068 is at 2.886403 3.897654 -2.543876 ESP Fit Center 1069 is at 2.481744 3.766173 -2.543876 ESP Fit Center 1070 is at 2.122497 3.538187 -2.543876 ESP Fit Center 1071 is at 1.831233 3.228023 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1090 is at 3.204466 3.027514 -3.354425 ESP Fit Center 1091 is at 2.805864 2.920709 -3.354425 ESP Fit Center 1092 is at 2.514068 2.628912 -3.354425 ESP Fit Center 1093 is at .289581 1.924230 -1.582587 ESP Fit Center 1094 is at .597794 2.047505 -1.956914 ESP Fit Center 1095 is at .183000 2.094241 -1.956914 ESP Fit Center 1096 is at 1.096051 1.952367 -2.357711 ESP Fit Center 1097 is at .704483 2.108382 -2.357711 ESP Fit Center 1098 is at .288531 2.176574 -2.357711 ESP Fit Center 1099 is at 1.444926 1.715824 -2.767463 ESP Fit Center 1100 is at 1.096051 1.952367 -2.767463 ESP Fit Center 1101 is at .704483 2.108382 -2.767463 ESP Fit Center 1102 is at .288531 2.176574 -2.767463 ESP Fit Center 1103 is at -.132356 2.153754 -2.767463 ESP Fit Center 1104 is at 1.345229 1.687559 -3.168260 ESP Fit Center 1105 is at .991790 1.909640 -3.168260 ESP Fit Center 1106 is at .597794 2.047505 -3.168260 ESP Fit Center 1107 is at .183000 2.094241 -3.168260 ESP Fit Center 1108 is at -.231795 2.047505 -3.168260 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ESP Fit Center 1915 is at -3.977877 3.476849 -2.119898 ESP Fit Center 1916 is at -3.083724 3.431158 -2.246518 ESP Fit Center 1917 is at -3.491231 3.431158 -2.246518 ESP Fit Center 1918 is at -3.694985 3.078247 -2.246518 ESP Fit Center 1919 is at -3.287478 3.078247 -2.289349 ESP Fit Center 1920 is at -.983215 1.889922 2.072695 ESP Fit Center 1921 is at -.779462 2.242834 2.029864 ESP Fit Center 1922 is at -1.186969 2.242834 2.029864 ESP Fit Center 1923 is at -1.390722 1.889922 2.029864 ESP Fit Center 1924 is at -1.186969 1.537011 2.029864 ESP Fit Center 1925 is at -.584614 2.580321 1.903244 ESP Fit Center 1926 is at -.983215 2.687126 1.903244 ESP Fit Center 1927 is at -1.381817 2.580321 1.903244 ESP Fit Center 1928 is at -1.673614 2.288524 1.903244 ESP Fit Center 1929 is at -1.780419 1.889922 1.903244 ESP Fit Center 1930 is at -1.673614 1.491320 1.903244 ESP Fit Center 1931 is at -1.381817 1.199524 1.903244 ESP Fit Center 1932 is at -.983215 1.092719 1.903244 ESP Fit Center 1933 is at 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1952 is at -.378137 .564985 1.424191 ESP Fit Center 1953 is at .254143 3.051879 1.092695 ESP Fit Center 1954 is at -.073698 3.323093 1.092695 ESP Fit Center 1955 is at -.458687 3.504255 1.092695 ESP Fit Center 1956 is at -.876634 3.583983 1.092695 ESP Fit Center 1957 is at .474174 3.052151 .718368 ESP Fit Center 1958 is at .179014 3.347312 .718368 ESP Fit Center 1959 is at -.174425 3.569392 .718368 ESP Fit Center 1960 is at -.568421 3.707257 .718368 ESP Fit Center 1961 is at -.983215 3.753993 .718368 ESP Fit Center 1962 is at .568579 3.069566 .317571 ESP Fit Center 1963 is at .278711 3.375577 .317571 ESP Fit Center 1964 is at -.070164 3.612120 .317571 ESP Fit Center 1965 is at -.461732 3.768135 .317571 ESP Fit Center 1966 is at .568579 3.069566 -.092181 ESP Fit Center 1967 is at .278711 3.375577 -.092181 ESP Fit Center 1968 is at -.070164 3.612120 -.092181 ESP Fit Center 1969 is at -.461732 3.768135 -.092181 ESP Fit Center 1970 is at .474174 3.052151 -.492978 ESP Fit Center 1971 is at 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is at .483056 -1.082976 1.112722 ESP Fit Center 1991 is at -.490077 -.382897 .781226 ESP Fit Center 1992 is at -.285099 -.755751 .781226 ESP Fit Center 1993 is at .006165 -1.065915 .781226 ESP Fit Center 1994 is at .365413 -1.293901 .781226 ESP Fit Center 1995 is at .770072 -1.425383 .781226 ESP Fit Center 1996 is at .172656 -1.930219 .295351 ESP Fit Center 1997 is at -.162584 -2.141909 .090475 ESP Fit Center 1998 is at -.009641 -2.536700 .090475 ESP Fit Center 1999 is at -.486704 -1.930219 -.183702 ESP Fit Center 2000 is at -.427703 -2.340581 -.183702 ESP Fit Center 2001 is at -.255480 -2.717697 -.183702 ESP Fit Center 2002 is at -.714166 -2.142961 -.515198 ESP Fit Center 2003 is at -.608352 -2.555077 -.515198 ESP Fit Center 2004 is at -.403374 -2.927932 -.515198 ESP Fit Center 2005 is at -.112110 -3.238096 -.515198 ESP Fit Center 2006 is at -.847475 -2.345014 -.889525 ESP Fit Center 2007 is at -.709610 -2.739009 -.889525 ESP Fit Center 2008 is at -.487530 -3.092448 -.889525 ESP Fit Center 2009 is at -.192370 -3.387608 -.889525 ESP Fit Center 2010 is at .161070 -3.609689 -.889525 ESP Fit Center 2011 is at -.877366 -2.552622 -1.290323 ESP Fit Center 2012 is at -.700380 -2.935169 -1.290323 ESP Fit Center 2013 is at -.445297 -3.270726 -1.290323 ESP Fit Center 2014 is at -.124042 -3.543603 -1.290323 ESP Fit Center 2015 is at .248363 -3.741039 -1.290323 ESP Fit Center 2016 is at .654504 -3.853803 -1.290323 ESP Fit Center 2017 is at -.700380 -2.935169 -1.700074 ESP Fit Center 2018 is at -.445297 -3.270726 -1.700074 ESP Fit Center 2019 is at -.124042 -3.543603 -1.700074 ESP Fit Center 2020 is at .248363 -3.741039 -1.700074 ESP Fit Center 2021 is at .654504 -3.853803 -1.700074 ESP Fit Center 2022 is at 1.075391 -3.876623 -1.700074 ESP Fit Center 2023 is at 1.491343 -3.808431 -1.700074 ESP Fit Center 2024 is at 1.882911 -3.652416 -1.700074 ESP Fit Center 2025 is at 2.231786 -3.415873 -1.700074 ESP Fit Center 2026 is at 2.521654 -3.109863 -1.700074 ESP Fit Center 2027 is at 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is at 7.258333 .322761 1.307938 ESP Fit Center 2083 is at 7.145795 .742761 1.307938 ESP Fit Center 2084 is at 6.838333 1.050222 1.307938 ESP Fit Center 2085 is at 6.418333 1.162761 1.307938 ESP Fit Center 2086 is at 5.998333 1.050222 1.307938 ESP Fit Center 2087 is at 5.690872 .742761 1.307938 ESP Fit Center 2088 is at 7.145795 -.097239 1.307938 ESP Fit Center 2089 is at 7.606273 .322761 1.040955 ESP Fit Center 2090 is at 7.526054 .751894 1.040955 ESP Fit Center 2091 is at 7.296231 1.123070 1.040955 ESP Fit Center 2092 is at 6.947844 1.386160 1.040955 ESP Fit Center 2093 is at 6.527943 1.505632 1.040955 ESP Fit Center 2094 is at 6.093238 1.465351 1.040955 ESP Fit Center 2095 is at 5.702440 1.270757 1.040955 ESP Fit Center 2096 is at 7.296231 -.477549 1.040955 ESP Fit Center 2097 is at 7.526054 -.106373 1.040955 ESP Fit Center 2098 is at 7.873256 .322761 .693016 ESP Fit Center 2099 is at 7.808618 .751606 .693016 ESP Fit Center 2100 is at 7.620447 1.142348 .693016 ESP Fit Center 2101 is 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7.985795 -.097239 -.581800 ESP Fit Center 2140 is at 7.873256 .322761 -.986984 ESP Fit Center 2141 is at 7.808618 .751606 -.986984 ESP Fit Center 2142 is at 7.620447 1.142348 -.986984 ESP Fit Center 2143 is at 7.325463 1.460265 -.986984 ESP Fit Center 2144 is at 6.949876 1.677110 -.986984 ESP Fit Center 2145 is at 6.527060 1.773615 -.986984 ESP Fit Center 2146 is at 6.094583 1.741205 -.986984 ESP Fit Center 2147 is at 7.808618 -.106085 -.986984 ESP Fit Center 2148 is at 7.606273 .322761 -1.334924 ESP Fit Center 2149 is at 7.526054 .751894 -1.334924 ESP Fit Center 2150 is at 7.296231 1.123070 -1.334924 ESP Fit Center 2151 is at 6.947844 1.386160 -1.334924 ESP Fit Center 2152 is at 6.527943 1.505632 -1.334924 ESP Fit Center 2153 is at 7.145795 .742761 -1.601907 ESP Fit Center 2154 is at 6.838333 1.050222 -1.601907 ESP Fit Center 2155 is at 7.128961 -1.825643 -1.084106 ESP Fit Center 2156 is at 7.386848 -1.489559 -1.084106 ESP Fit Center 2157 is at 7.661500 -.678181 -1.518922 ESP Fit 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Center 2213 is at 7.739648 -1.924683 1.792780 ESP Fit Center 2214 is at 7.659429 -1.495550 1.792780 ESP Fit Center 2215 is at 7.429606 -1.124373 1.792780 ESP Fit Center 2216 is at 7.081218 -.861283 1.792780 ESP Fit Center 2217 is at 6.661317 -3.107555 1.792780 ESP Fit Center 2218 is at 7.081218 -2.988083 1.792780 ESP Fit Center 2219 is at 7.429606 -2.724993 1.792780 ESP Fit Center 2220 is at 7.659429 -2.353816 1.792780 ESP Fit Center 2221 is at 8.006631 -1.924683 1.444840 ESP Fit Center 2222 is at 7.941993 -1.495837 1.444840 ESP Fit Center 2223 is at 7.753822 -1.105096 1.444840 ESP Fit Center 2224 is at 7.458838 -.787179 1.444840 ESP Fit Center 2225 is at 7.083251 -3.279032 1.444840 ESP Fit Center 2226 is at 7.458838 -3.062187 1.444840 ESP Fit Center 2227 is at 7.753822 -2.744270 1.444840 ESP Fit Center 2228 is at 7.941993 -2.353529 1.444840 ESP Fit Center 2229 is at 8.174464 -1.924683 1.039656 ESP Fit Center 2230 is at 8.119170 -1.504683 1.039656 ESP Fit Center 2231 is at 7.957056 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Fit Center 2269 is at 7.279170 -2.344683 -.850082 ESP Fit Center 2270 is at 6.223399 -2.798028 -1.561392 ESP Fit Center 2271 is at 6.168105 -2.378028 -1.561392 ESP Fit Center 2272 is at 2.977888 -2.798028 -1.561392 ESP Fit Center 2273 is at 3.033183 -3.218028 -1.561392 ESP Fit Center 2274 is at 3.195296 -3.609406 -1.561392 ESP Fit Center 2275 is at 3.453183 -3.945490 -1.561392 ESP Fit Center 2276 is at 3.789266 -4.203376 -1.561392 ESP Fit Center 2277 is at 4.180644 -4.365490 -1.561392 ESP Fit Center 2278 is at 4.600644 -4.420784 -1.561392 ESP Fit Center 2279 is at 5.020644 -4.365490 -1.561392 ESP Fit Center 2280 is at 5.412022 -4.203376 -1.561392 ESP Fit Center 2281 is at 5.748105 -3.945490 -1.561392 ESP Fit Center 2282 is at 6.005991 -3.609406 -1.561392 ESP Fit Center 2283 is at 6.168105 -3.218028 -1.561392 ESP Fit Center 2284 is at 6.055567 -2.798028 -1.966576 ESP Fit Center 2285 is at 5.990928 -2.369182 -1.966576 ESP Fit Center 2286 is at 3.289804 -2.166761 -1.966576 ESP Fit Center 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ESP Fit Center 2342 is at 3.748694 -1.556025 4.094986 ESP Fit Center 2343 is at 3.328694 -1.668564 4.094986 ESP Fit Center 2344 is at 2.908694 -2.396025 4.094986 ESP Fit Center 2345 is at 3.021233 -2.816025 4.094986 ESP Fit Center 2346 is at 3.328694 -3.123487 4.094986 ESP Fit Center 2347 is at 3.748694 -3.236025 4.094986 ESP Fit Center 2348 is at 4.168694 -3.123487 4.094986 ESP Fit Center 2349 is at 4.476156 -2.816025 4.094986 ESP Fit Center 2350 is at 4.936634 -2.396025 3.828003 ESP Fit Center 2351 is at 4.856415 -1.966892 3.828003 ESP Fit Center 2352 is at 4.626592 -1.595716 3.828003 ESP Fit Center 2353 is at 2.738688 -3.021395 3.828003 ESP Fit Center 2354 is at 3.032801 -3.344021 3.828003 ESP Fit Center 2355 is at 3.423599 -3.538616 3.828003 ESP Fit Center 2356 is at 3.858303 -3.578897 3.828003 ESP Fit Center 2357 is at 4.278204 -3.459425 3.828003 ESP Fit Center 2358 is at 4.626592 -3.196335 3.828003 ESP Fit Center 2359 is at 4.856415 -2.825159 3.828003 ESP Fit Center 2360 is at 5.203617 -2.396025 3.480064 ESP Fit Center 2361 is at 5.138979 -1.967179 3.480064 ESP Fit Center 2362 is at 2.682160 -3.385624 3.480064 ESP Fit Center 2363 is at 3.021233 -3.656025 3.480064 ESP Fit Center 2364 is at 3.424943 -3.814470 3.480064 ESP Fit Center 2365 is at 3.857421 -3.846880 3.480064 ESP Fit Center 2366 is at 4.280237 -3.750375 3.480064 ESP Fit Center 2367 is at 4.655824 -3.533530 3.480064 ESP Fit Center 2368 is at 4.950808 -3.215612 3.480064 ESP Fit Center 2369 is at 5.138979 -2.824871 3.480064 ESP Fit Center 2370 is at 2.601233 -3.543487 3.074880 ESP Fit Center 2371 is at 2.937317 -3.801373 3.074880 ESP Fit Center 2372 is at 3.328694 -3.963487 3.074880 ESP Fit Center 2373 is at 3.748694 -4.018781 3.074880 ESP Fit Center 2374 is at 4.168694 -3.963487 3.074880 ESP Fit Center 2375 is at 4.560072 -3.801373 3.074880 ESP Fit Center 2376 is at 4.896156 -3.543487 3.074880 ESP Fit Center 2377 is at 5.154042 -3.207403 3.074880 ESP Fit Center 2378 is at 5.316156 -2.816025 3.074880 ESP Fit Center 2379 is at 2.677822 -3.690488 2.640064 ESP Fit Center 2380 is at 3.033385 -3.916135 2.640064 ESP Fit Center 2381 is at 3.433894 -4.046268 2.640064 ESP Fit Center 2382 is at 3.854182 -4.072710 2.640064 ESP Fit Center 2383 is at 4.267843 -3.993800 2.640064 ESP Fit Center 2384 is at 4.648883 -3.814496 2.640064 ESP Fit Center 2385 is at 4.973362 -3.546064 2.640064 ESP Fit Center 2386 is at 5.220889 -3.205371 2.640064 ESP Fit Center 2387 is at 5.375914 -2.813824 2.640064 ESP Fit Center 2388 is at 3.328694 -3.963487 2.205248 ESP Fit Center 2389 is at 3.748694 -4.018781 2.205248 ESP Fit Center 2390 is at 1.590595 -2.043335 4.766682 ESP Fit Center 2391 is at 1.155779 -2.043335 4.709437 ESP Fit Center 2392 is at 1.373187 -2.419896 4.709437 ESP Fit Center 2393 is at 1.808003 -2.419896 4.709437 ESP Fit Center 2394 is at .750595 -2.043335 4.541605 ESP Fit Center 2395 is at .863134 -2.463335 4.541605 ESP Fit Center 2396 is at 1.170595 -2.770796 4.541605 ESP Fit Center 2397 is at 1.590595 -2.883335 4.541605 ESP Fit Center 2398 is at 2.010595 -2.770796 4.541605 ESP Fit Center 2399 is at 2.318056 -2.463335 4.541605 ESP Fit Center 2400 is at .422883 -2.261618 4.274621 ESP Fit Center 2401 is at .580589 -2.668704 4.274621 ESP Fit Center 2402 is at .874702 -2.991331 4.274621 ESP Fit Center 2403 is at 1.265500 -3.185925 4.274621 ESP Fit Center 2404 is at 1.700204 -3.226207 4.274621 ESP Fit Center 2405 is at 2.120105 -3.106735 4.274621 ESP Fit Center 2406 is at 2.468493 -2.843644 4.274621 ESP Fit Center 2407 is at 2.698316 -2.472468 4.274621 ESP Fit Center 2408 is at .151923 -2.260180 3.926682 ESP Fit Center 2409 is at .279755 -2.674602 3.926682 ESP Fit Center 2410 is at .524061 -3.032934 3.926682 ESP Fit Center 2411 is at .863134 -3.303335 3.926682 ESP Fit Center 2412 is at 1.266844 -3.461780 3.926682 ESP Fit Center 2413 is at 1.699322 -3.494189 3.926682 ESP Fit Center 2414 is at 2.122138 -3.397684 3.926682 ESP Fit Center 2415 is at 2.497725 -3.180839 3.926682 ESP Fit Center 2416 is at .023134 -2.463335 3.521498 ESP Fit Center 2417 is at .185248 -2.854712 3.521498 ESP Fit Center 2418 is at .443134 -3.190796 3.521498 ESP Fit Center 2419 is at .779217 -3.448682 3.521498 ESP Fit Center 2420 is at 1.170595 -3.610796 3.521498 ESP Fit Center 2421 is at 1.590595 -3.666090 3.521498 ESP Fit Center 2422 is at 2.010595 -3.610796 3.521498 ESP Fit Center 2423 is at 2.401973 -3.448682 3.521498 ESP Fit Center 2424 is at -.076158 -2.253895 3.086682 ESP Fit Center 2425 is at .028571 -2.661784 3.086682 ESP Fit Center 2426 is at .231447 -3.030814 3.086682 ESP Fit Center 2427 is at .519723 -3.337797 3.086682 ESP Fit Center 2428 is at .875286 -3.563444 3.086682 ESP Fit Center 2429 is at 1.275795 -3.693577 3.086682 ESP Fit Center 2430 is at 1.696083 -3.720020 3.086682 ESP Fit Center 2431 is at 2.109744 -3.641110 3.086682 ESP Fit Center 2432 is at 2.490784 -3.461806 3.086682 ESP Fit Center 2433 is at .023134 -2.463335 2.651866 ESP Fit Center 2434 is at .185248 -2.854712 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Center 2584 is at -.804546 2.996112 2.570519 ESP Fit Center 2585 is at -1.048853 2.637781 2.570519 ESP Fit Center 2586 is at -1.176685 2.223358 2.570519 ESP Fit Center 2587 is at -1.176685 1.789668 2.570519 ESP Fit Center 2588 is at -.063108 3.149104 2.222579 ESP Fit Center 2589 is at -.453906 2.954509 2.222579 ESP Fit Center 2590 is at -.748019 2.631883 2.222579 ESP Fit Center 2591 is at -.905725 2.224797 2.222579 ESP Fit Center 2592 is at -.905725 1.788230 2.222579 ESP Fit Center 2593 is at -.158013 2.733975 1.955596 ESP Fit Center 2594 is at -.465474 2.426513 1.955596 ESP Fit Center 2595 is at 3.402997 5.133825 2.235335 ESP Fit Center 2596 is at 3.860894 5.206673 1.968351 ESP Fit Center 2597 is at 3.512507 5.469763 1.968351 ESP Fit Center 2598 is at 3.092606 5.589235 1.968351 ESP Fit Center 2599 is at 2.657901 5.548954 1.968351 ESP Fit Center 2600 is at 4.373281 4.835209 1.620412 ESP Fit Center 2601 is at 4.185110 5.225951 1.620412 ESP Fit Center 2602 is at 3.890126 5.543868 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ESP Fit Center 3504 is at 1.903491 -1.845179 -3.933128 ESP Fit Center 3505 is at 2.249915 -1.600646 -3.933128 ESP Fit Center 3506 is at .588951 -1.498810 -4.130058 ESP Fit Center 3507 is at .979397 -1.640920 -4.130058 ESP Fit Center 3508 is at 1.394901 -1.640920 -4.130058 ESP Fit Center 3509 is at 1.785347 -1.498810 -4.130058 ESP Fit Center 3510 is at 2.103641 -1.231729 -4.130058 ESP Fit Center 3511 is at .781454 -1.165385 -4.273658 ESP Fit Center 3512 is at 1.187149 -1.274091 -4.273658 ESP Fit Center 3513 is at 1.592844 -1.165385 -4.273658 ESP Fit Center 3514 is at 1.889833 -.868396 -4.273658 ESP Fit Center 3515 is at 1.597016 -.462701 -4.361004 ESP Fit Center 3516 is at 1.392082 -.817656 -4.361004 ESP Fit Center 3517 is at 3.412191 -2.141832 -2.821415 ESP Fit Center 3518 is at 3.784674 -1.942736 -2.821415 ESP Fit Center 3519 is at 2.797301 -2.145525 -3.206864 ESP Fit Center 3520 is at 3.207334 -2.058369 -3.206864 ESP Fit Center 3521 is at 3.590287 -1.887868 -3.206864 ESP Fit Center 3522 is at 2.898110 -1.911745 -3.558312 ESP Fit Center 3523 is at 3.295720 -1.792708 -3.558312 ESP Fit Center 3524 is at 3.655160 -1.585186 -3.558312 ESP Fit Center 3525 is at 2.372940 -1.645061 -3.863790 ESP Fit Center 3526 is at 2.802468 -1.645061 -3.863790 ESP Fit Center 3527 is at 3.214598 -1.524049 -3.863790 ESP Fit Center 3528 is at 3.575940 -1.291829 -3.863790 ESP Fit Center 3529 is at 2.264998 -1.285536 -4.112896 ESP Fit Center 3530 is at 2.696507 -1.325521 -4.112896 ESP Fit Center 3531 is at 3.113322 -1.206927 -4.112896 ESP Fit Center 3532 is at 1.886932 .253247 -4.297148 ESP Fit Center 3533 is at 2.183113 -.852115 -4.297148 ESP Fit Center 3534 is at 2.587704 -.960525 -4.297148 ESP Fit Center 3535 is at 2.992295 -.852115 -4.297148 ESP Fit Center 3536 is at 2.381904 .205112 -4.410270 ESP Fit Center 3537 is at 2.176105 -.151343 -4.410270 ESP Fit Center 3538 is at 2.381904 -.507798 -4.410270 ESP Fit Center 3539 is at 2.793503 -.507798 -4.410270 ESP Fit Center 3540 is at 2.587704 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is at 5.905736 2.840669 -1.562894 ESP Fit Center 3560 is at 5.606131 3.129524 -1.562894 ESP Fit Center 3561 is at 5.267662 3.371678 -1.562894 ESP Fit Center 3562 is at 6.633310 1.348219 -1.972761 ESP Fit Center 3563 is at 6.545964 1.749742 -1.972761 ESP Fit Center 3564 is at 6.402365 2.134748 -1.972761 ESP Fit Center 3565 is at 6.205435 2.495398 -1.972761 ESP Fit Center 3566 is at 5.959183 2.824351 -1.972761 ESP Fit Center 3567 is at 5.668623 3.114911 -1.972761 ESP Fit Center 3568 is at 5.339670 3.361163 -1.972761 ESP Fit Center 3569 is at 4.979020 3.558093 -1.972761 ESP Fit Center 3570 is at 6.160090 2.511269 -2.382628 ESP Fit Center 3571 is at 5.905736 2.840669 -2.382628 ESP Fit Center 3572 is at 5.606131 3.129524 -2.382628 ESP Fit Center 3573 is at 5.267662 3.371678 -2.382628 ESP Fit Center 3574 is at 4.897541 3.561970 -2.382628 ESP Fit Center 3575 is at 5.808296 2.817901 -2.784151 ESP Fit Center 3576 is at 5.505539 3.098818 -2.784151 ESP Fit Center 3577 is at 5.164294 3.331475 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Center 3596 is at 1.775303 2.295065 -3.529807 ESP Fit Center 3597 is at 1.574891 1.936311 -3.529807 ESP Fit Center 3598 is at 3.885451 -1.482275 -3.529807 ESP Fit Center 3599 is at 4.293060 -1.430078 -3.529807 ESP Fit Center 3600 is at 4.686800 2.918220 -3.858760 ESP Fit Center 3601 is at 4.295768 3.053557 -3.858760 ESP Fit Center 3602 is at 3.886189 3.112446 -3.858760 ESP Fit Center 3603 is at 3.472868 3.092757 -3.858760 ESP Fit Center 3604 is at 3.070742 2.995202 -3.858760 ESP Fit Center 3605 is at 2.694345 2.823308 -3.858760 ESP Fit Center 3606 is at 2.357282 2.583286 -3.858760 ESP Fit Center 3607 is at 2.071734 2.283812 -3.858760 ESP Fit Center 3608 is at 1.848022 1.935709 -3.858760 ESP Fit Center 3609 is at 1.694232 1.551560 -3.858760 ESP Fit Center 3610 is at 3.886189 -1.235741 -3.858760 ESP Fit Center 3611 is at 4.202299 2.777065 -4.149320 ESP Fit Center 3612 is at 3.782625 2.824351 -4.149320 ESP Fit Center 3613 is at 3.362950 2.777065 -4.149320 ESP Fit Center 3614 is at 2.964320 2.637579 -4.149320 ESP Fit Center 3615 is at 2.606723 2.412886 -4.149320 ESP Fit Center 3616 is at 2.308091 2.114253 -4.149320 ESP Fit Center 3617 is at 2.083398 1.756657 -4.149320 ESP Fit Center 3618 is at 1.943912 1.358027 -4.149320 ESP Fit Center 3619 is at 1.896626 .938352 -4.149320 ESP Fit Center 3620 is at 3.782625 -.947647 -4.149320 ESP Fit Center 3621 is at 4.099415 2.462831 -4.395571 ESP Fit Center 3622 is at 3.676368 2.491768 -4.395571 ESP Fit Center 3623 is at 3.261202 2.405496 -4.395571 ESP Fit Center 3624 is at 2.884707 2.210412 -4.395571 ESP Fit Center 3625 is at 2.574807 1.920985 -4.395571 ESP Fit Center 3626 is at 2.354485 1.558681 -4.395571 ESP Fit Center 3627 is at 2.240081 1.150370 -4.395571 ESP Fit Center 3628 is at 2.240081 .726335 -4.395571 ESP Fit Center 3629 is at 2.354485 .318024 -4.395571 ESP Fit Center 3630 is at 3.261202 -.528791 -4.395571 ESP Fit Center 3631 is at 3.574873 2.116572 -4.592501 ESP Fit Center 3632 is at 3.184427 1.974461 -4.592501 ESP Fit Center 3633 is at 2.866133 1.707380 -4.592501 ESP Fit Center 3634 is at 2.658381 1.347544 -4.592501 ESP Fit Center 3635 is at 2.586229 .938352 -4.592501 ESP Fit Center 3636 is at 2.658381 .529161 -4.592501 ESP Fit Center 3637 is at 2.866133 .169324 -4.592501 ESP Fit Center 3638 is at 3.184427 -.097756 -4.592501 ESP Fit Center 3639 is at 3.376930 1.641037 -4.736101 ESP Fit Center 3640 is at 3.079940 1.344047 -4.736101 ESP Fit Center 3641 is at 2.971235 .938352 -4.736101 ESP Fit Center 3642 is at 3.079940 .532658 -4.736101 ESP Fit Center 3643 is at 3.372758 .938352 -4.823447 ESP Fit Center 3644 is at 5.444455 2.049445 .405623 ESP Fit Center 3645 is at 5.061503 2.219946 .405623 ESP Fit Center 3646 is at 5.638843 2.104313 .020175 ESP Fit Center 3647 is at 7.918685 -1.174700 -.536871 ESP Fit Center 3648 is at 8.026961 -.770607 -.536871 ESP Fit Center 3649 is at 8.026961 -.353852 -.953627 ESP Fit Center 3650 is at 7.692399 -1.566109 -.953627 ESP Fit Center 3651 is at 7.876250 -1.184340 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is at 3.626709 -.585868 4.568048 ESP Fit Center 3671 is at 3.516736 -.175444 4.568048 ESP Fit Center 3672 is at 3.216284 .125008 4.568048 ESP Fit Center 3673 is at 3.516736 -.996292 4.568048 ESP Fit Center 3674 is at 4.005860 -.585868 4.391246 ESP Fit Center 3675 is at 3.933491 -.175444 4.391246 ESP Fit Center 3676 is at 3.725114 .185477 4.391246 ESP Fit Center 3677 is at 3.405860 .453363 4.391246 ESP Fit Center 3678 is at 3.725114 -1.357213 4.391246 ESP Fit Center 3679 is at 3.933491 -.996292 4.391246 ESP Fit Center 3680 is at 4.348550 -.585868 4.151292 ESP Fit Center 3681 is at 4.291343 -.169655 4.151292 ESP Fit Center 3682 is at 4.123965 .215689 4.151292 ESP Fit Center 3683 is at 4.291343 -1.002081 4.151292 ESP Fit Center 3684 is at 4.644367 -.585868 3.855476 ESP Fit Center 3685 is at 4.594810 -.161879 3.855476 ESP Fit Center 3686 is at 2.108343 -.987655 5.303656 ESP Fit Center 3687 is at 1.483210 -1.348576 5.303656 ESP Fit Center 3688 is at 1.899965 -1.348576 5.303656 ESP Fit Center 3689 is at 2.512436 -.987655 5.195380 ESP Fit Center 3690 is at 2.402463 -.577230 5.195380 ESP Fit Center 3691 is at 1.281163 -1.698530 5.195380 ESP Fit Center 3692 is at 1.691587 -1.808503 5.195380 ESP Fit Center 3693 is at 2.102012 -1.698530 5.195380 ESP Fit Center 3694 is at 2.402463 -1.398079 5.195380 ESP Fit Center 3695 is at 2.891587 -.987655 5.018579 ESP Fit Center 3696 is at 2.819219 -.577230 5.018579 ESP Fit Center 3697 is at 2.610841 -.216309 5.018579 ESP Fit Center 3698 is at 1.091587 -2.026885 5.018579 ESP Fit Center 3699 is at 1.483210 -2.169424 5.018579 ESP Fit Center 3700 is at 1.899965 -2.169424 5.018579 ESP Fit Center 3701 is at 2.291587 -2.026885 5.018579 ESP Fit Center 3702 is at 2.610841 -1.759000 5.018579 ESP Fit Center 3703 is at 2.819219 -1.398079 5.018579 ESP Fit Center 3704 is at 3.234278 -.987655 4.778624 ESP Fit Center 3705 is at 3.177071 -.571442 4.778624 ESP Fit Center 3706 is at 3.009692 -.186097 4.778624 ESP Fit Center 3707 is at 2.744556 .139799 4.778624 ESP Fit Center 3708 is at 2.744556 -2.115108 4.778624 ESP Fit Center 3709 is at 3.009692 -1.789212 4.778624 ESP Fit Center 3710 is at 3.177071 -1.403867 4.778624 ESP Fit Center 3711 is at 3.099965 -2.169424 4.482808 ESP Fit Center 3712 is at 3.334537 -1.812775 4.482808 ESP Fit Center 3713 is at 3.480537 -1.411643 4.482808 ESP Fit Center 3714 is at -.386874 -2.187655 2.940118 ESP Fit Center 3715 is at -.437887 -2.013156 2.523362 ESP Fit Center 3716 is at -.220555 -2.376908 2.523362 ESP Fit Center 3717 is at -.312970 -2.021076 2.119269 ESP Fit Center 3718 is at -.081168 -2.381765 2.119269 ESP Fit Center 3719 is at -.291554 -1.609869 1.740118 ESP Fit Center 3720 is at -.125708 -1.996336 1.740118 ESP Fit Center 3721 is at .114538 -2.341507 1.740118 ESP Fit Center 3722 is at -.134488 -1.201092 1.397428 ESP Fit Center 3723 is at -.036044 -1.616461 1.397428 ESP Fit Center 3724 is at .155538 -1.997931 1.397428 ESP Fit Center 3725 is at .276615 -1.602264 1.101611 ESP Fit Center 3726 is 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.684184 5.431370 ESP Fit Center 3746 is at .961613 -1.268930 5.431370 ESP Fit Center 3747 is at 1.353235 -1.126391 5.431370 ESP Fit Center 3748 is at 1.672488 -.858506 5.431370 ESP Fit Center 3749 is at 1.880866 -.497585 5.431370 ESP Fit Center 3750 is at 2.295925 -.087161 5.191415 ESP Fit Center 3751 is at 2.238718 .329052 5.191415 ESP Fit Center 3752 is at 2.071339 .714396 5.191415 ESP Fit Center 3753 is at .647958 -1.626255 5.191415 ESP Fit Center 3754 is at 1.067104 -1.597584 5.191415 ESP Fit Center 3755 is at 2.542184 .336828 4.895599 ESP Fit Center 3756 is at .646335 -1.922557 4.895599 ESP Fit Center 3757 is at -1.525129 .541628 2.936153 ESP Fit Center 3758 is at -1.410674 .548220 2.532060 ESP Fit Center 3759 is at -1.491816 .127216 2.532060 ESP Fit Center 3760 is at -.723648 -1.791574 2.532060 ESP Fit Center 3761 is at -1.229906 .535054 2.152909 ESP Fit Center 3762 is at -1.314562 .123114 2.152909 ESP Fit Center 3763 is at -1.314562 -.297435 2.152909 ESP Fit Center 3764 is at -1.229906 -.709375 2.152909 ESP Fit Center 3765 is at -1.064061 -1.095842 2.152909 ESP Fit Center 3766 is at -.823814 -1.441013 2.152909 ESP Fit Center 3767 is at -.519004 -1.730757 2.152909 ESP Fit Center 3768 is at -1.072841 .126277 1.810218 ESP Fit Center 3769 is at -1.072841 -.300598 1.810218 ESP Fit Center 3770 is at -.974396 -.715967 1.810218 ESP Fit Center 3771 is at -.782815 -1.097437 1.810218 ESP Fit Center 3772 is at -.508425 -1.424442 1.810218 ESP Fit Center 3773 is at -.775087 -.297224 1.514402 ESP Fit Center 3774 is at -.661738 -.701770 1.514402 ESP Fit Center 3775 is at -.443447 -1.060734 1.514402 ESP Fit Center 3776 is at .965609 1.261849 5.493107 ESP Fit Center 3777 is at 1.382365 1.261849 5.456646 ESP Fit Center 3778 is at 1.173987 1.622770 5.456646 ESP Fit Center 3779 is at .757231 1.622770 5.456646 ESP Fit Center 3780 is at .548853 1.261849 5.456646 ESP Fit Center 3781 is at 1.786457 1.261849 5.348370 ESP Fit Center 3782 is at 1.676484 1.672274 5.348370 ESP Fit Center 3783 is at 1.376033 1.972725 5.348370 ESP Fit Center 3784 is at .965609 2.082698 5.348370 ESP Fit Center 3785 is at .555185 1.972725 5.348370 ESP Fit Center 3786 is at .254733 1.672274 5.348370 ESP Fit Center 3787 is at .144761 1.261849 5.348370 ESP Fit Center 3788 is at 2.165609 1.261849 5.171568 ESP Fit Center 3789 is at 2.093240 1.672274 5.171568 ESP Fit Center 3790 is at 1.884862 2.033195 5.171568 ESP Fit Center 3791 is at 1.565609 2.301080 5.171568 ESP Fit Center 3792 is at 1.173987 2.443619 5.171568 ESP Fit Center 3793 is at -.234391 1.261849 5.171568 ESP Fit Center 3794 is at 2.093240 .851425 5.171568 ESP Fit Center 3795 is at 2.508299 1.261849 4.931614 ESP Fit Center 3796 is at 2.451092 1.678062 4.931614 ESP Fit Center 3797 is at 2.283713 2.063407 4.931614 ESP Fit Center 3798 is at 2.018577 2.389303 4.931614 ESP Fit Center 3799 is at 1.675347 2.631581 4.931614 ESP Fit Center 3800 is at 1.279478 2.772273 4.931614 ESP Fit Center 3801 is at 2.451092 .845637 4.931614 ESP Fit Center 3802 is at 2.754558 .837861 4.635798 ESP Fit Center 3803 is at -1.388415 1.049983 2.676352 ESP Fit Center 3804 is at -1.279441 1.047473 2.272259 ESP Fit Center 3805 is at 2.909854 1.658022 4.651494 ESP Fit Center 3806 is at 2.799881 2.068447 4.651494 ESP Fit Center 3807 is at 2.499430 2.368898 4.651494 ESP Fit Center 3808 is at 2.799881 1.247598 4.651494 ESP Fit Center 3809 is at 3.289006 1.658022 4.474692 ESP Fit Center 3810 is at 3.216637 2.068447 4.474692 ESP Fit Center 3811 is at 3.008259 2.429367 4.474692 ESP Fit Center 3812 is at 3.008259 .886677 4.474692 ESP Fit Center 3813 is at 3.216637 1.247598 4.474692 ESP Fit Center 3814 is at 3.631696 1.658022 4.234738 ESP Fit Center 3815 is at 3.574489 2.074235 4.234738 ESP Fit Center 3816 is at 3.407110 2.459579 4.234738 ESP Fit Center 3817 is at 3.877955 2.082011 3.938922 ESP Fit Center 3818 is at 3.731955 2.483143 3.938922 ESP Fit Center 3819 is at 3.409910 2.714678 4.186443 ESP Fit Center 3820 is at 3.824969 3.125103 3.946489 ESP Fit Center 3821 is at 3.767762 2.708890 3.946489 ESP Fit Center 3822 is at 4.120786 3.125103 3.650673 ESP Fit Center 3823 is at 4.071228 3.549091 3.650673 ESP Fit Center 3824 is at 4.071228 2.701114 3.650673 ESP Fit Center 3825 is at 4.360740 3.125103 3.307982 ESP Fit Center 3826 is at 4.318194 3.543494 3.307982 ESP Fit Center 3827 is at 4.192297 3.944756 3.307982 ESP Fit Center 3828 is at 4.318194 2.706712 3.307982 ESP Fit Center 3829 is at 4.537541 3.125103 2.928831 ESP Fit Center 3830 is at 4.496786 3.551914 2.928831 ESP Fit Center 3831 is at 4.375992 3.963299 2.928831 ESP Fit Center 3832 is at 4.179526 4.344390 2.928831 ESP Fit Center 3833 is at 4.496786 2.698291 2.928831 ESP Fit Center 3834 is at 4.607834 2.703077 2.524738 ESP Fit Center 3835 is at .003915 3.753891 1.691227 ESP Fit Center 3836 is at -.071745 3.336969 1.691227 ESP Fit Center 3837 is at .277722 4.158524 1.287134 ESP Fit Center 3838 is at .118371 3.760483 1.287134 ESP Fit Center 3839 is at .705230 4.478955 .907982 ESP Fit Center 3840 is at .464984 4.133784 .907982 ESP Fit Center 3841 is at .299138 3.747317 .907982 ESP Fit Center 3842 is at .554648 3.753909 .565292 ESP Fit Center 3843 is at 4.756260 3.431212 2.518841 ESP Fit Center 3844 is at 4.706703 3.855201 2.518841 ESP Fit Center 3845 is at 4.560703 4.256333 2.518841 ESP Fit Center 3846 is at 4.326132 4.612982 2.518841 ESP Fit Center 3847 is at 4.015634 4.905921 2.518841 ESP Fit Center 3848 is at 4.706703 3.007224 2.518841 ESP Fit Center 3849 is at 4.996215 3.431212 2.176151 ESP Fit Center 3850 is at 4.953669 3.849604 2.176151 ESP Fit Center 3851 is at 4.827772 4.250866 2.176151 ESP Fit Center 3852 is at 4.623679 4.618571 2.176151 ESP Fit Center 3853 is at 4.349745 4.937666 2.176151 ESP Fit Center 3854 is at 4.827772 2.611559 2.176151 ESP Fit Center 3855 is at 4.953669 3.012821 2.176151 ESP Fit Center 3856 is at 5.173016 3.431212 1.796999 ESP Fit Center 3857 is at 5.132261 3.858024 1.796999 ESP Fit Center 3858 is at 5.011467 4.269409 1.796999 ESP Fit Center 3859 is at 4.815001 4.650499 1.796999 ESP Fit Center 3860 is at 4.549964 4.987522 1.796999 ESP Fit Center 3861 is at 5.011467 2.593016 1.796999 ESP Fit Center 3862 is at 5.132261 3.004401 1.796999 ESP Fit Center 3863 is at 5.281292 3.431212 1.392906 ESP Fit Center 3864 is at 5.243309 3.853238 1.392906 ESP Fit Center 3865 is at 5.130581 4.261700 1.392906 ESP Fit Center 3866 is at 4.946731 4.643470 1.392906 ESP Fit Center 3867 is at 5.130581 2.600724 1.392906 ESP Fit Center 3868 is at 5.243309 3.009186 1.392906 ESP Fit Center 3869 is at 5.317754 3.431212 .976151 ESP Fit Center 3870 is at 5.281292 3.847968 .976151 ESP Fit Center 3871 is at 5.173016 4.252061 .976151 ESP Fit Center 3872 is at 4.996215 4.631212 .976151 ESP Fit Center 3873 is at 1.079247 4.973903 .976151 ESP Fit Center 3874 is at 5.173016 2.610364 .976151 ESP Fit Center 3875 is at 5.281292 3.014457 .976151 ESP Fit Center 3876 is at 5.281292 3.431212 .559395 ESP Fit Center 3877 is at 5.243309 3.853238 .559395 ESP Fit Center 3878 is at 5.130581 4.261700 .559395 ESP Fit Center 3879 is at 4.946731 4.643470 .559395 ESP Fit Center 3880 is at 1.005611 4.820466 .559395 ESP Fit Center 3881 is at .788279 4.456713 .559395 ESP Fit Center 3882 is at .639390 4.060001 .559395 ESP Fit Center 3883 is at 5.130581 2.600724 .559395 ESP Fit Center 3884 is at 5.243309 3.009186 .559395 ESP Fit Center 3885 is at 5.173016 3.431212 .155302 ESP Fit Center 3886 is at 5.132261 3.858024 .155302 ESP Fit Center 3887 is at 5.011467 4.269409 .155302 ESP Fit Center 3888 is at 4.815001 4.650499 .155302 ESP Fit Center 3889 is at 1.144998 4.825323 .155302 ESP Fit Center 3890 is at .913197 4.464633 .155302 ESP Fit Center 3891 is at .753845 4.066593 .155302 ESP Fit Center 3892 is at .672704 3.645589 .155302 ESP Fit Center 3893 is at 5.011467 2.593016 .155302 ESP Fit Center 3894 is at 5.132261 3.004401 .155302 ESP Fit Center 3895 is at 4.996215 3.431212 -.223849 ESP Fit Center 3896 is at 4.953669 3.849604 -.223849 ESP Fit Center 3897 is at 4.827772 4.250866 -.223849 ESP Fit Center 3898 is at 4.623679 4.618571 -.223849 ESP Fit Center 3899 is at 1.340705 4.785065 -.223849 ESP Fit Center 3900 is at 1.100458 4.439894 -.223849 ESP Fit Center 3901 is at .934613 4.053427 -.223849 ESP Fit Center 3902 is at .849957 3.641487 -.223849 ESP Fit Center 3903 is at .849957 3.220938 -.223849 ESP Fit Center 3904 is at 4.953669 3.012821 -.223849 ESP Fit Center 3905 is at 4.706703 3.855201 -.566540 ESP Fit Center 3906 is at 4.560703 4.256333 -.566540 ESP Fit Center 3907 is at 1.656094 4.768494 -.566540 ESP Fit Center 3908 is at 1.381704 4.441488 -.566540 ESP Fit Center 3909 is at 1.190123 4.060019 -.566540 ESP Fit Center 3910 is at 1.091678 3.644650 -.566540 ESP Fit Center 3911 is at 1.091678 3.217775 -.566540 ESP Fit Center 3912 is at 1.190123 2.802406 -.566540 ESP Fit Center 3913 is at 4.235858 4.232769 -.862356 ESP Fit Center 3914 is at 3.970722 4.558666 -.862356 ESP Fit Center 3915 is at 2.028115 4.691544 -.862356 ESP Fit Center 3916 is at 1.721072 4.404786 -.862356 ESP Fit Center 3917 is at 1.502781 4.045822 -.862356 ESP Fit Center 3918 is at 1.389432 3.641275 -.862356 ESP Fit Center 3919 is at 3.517754 4.470443 -1.102310 ESP Fit Center 3920 is at 2.317754 4.470443 -1.102310 ESP Fit Center 3921 is at 1.998500 4.202558 -1.102310 ESP Fit Center 3922 is at 1.881203 3.927503 5.155770 ESP Fit Center 3923 is at 2.292802 3.927503 5.117629 ESP Fit Center 3924 is at 2.087003 4.283958 5.117629 ESP Fit Center 3925 is at 1.675404 4.283958 5.117629 ESP Fit Center 3926 is at 1.469604 3.927503 5.117629 ESP Fit Center 3927 is at 1.675404 3.571048 5.117629 ESP Fit Center 3928 is at 2.087003 3.571048 5.117629 ESP Fit Center 3929 is at 2.690384 3.927503 5.004507 ESP Fit Center 3930 is at 2.581975 4.332094 5.004507 ESP Fit Center 3931 is at 2.285794 4.628275 5.004507 ESP Fit Center 3932 is at 1.881203 4.736685 5.004507 ESP Fit Center 3933 is at 1.476612 4.628275 5.004507 ESP Fit Center 3934 is at 1.180431 4.332094 5.004507 ESP Fit Center 3935 is at 1.072022 3.927503 5.004507 ESP Fit Center 3936 is at 1.180431 3.522913 5.004507 ESP Fit Center 3937 is at 1.476612 3.226732 5.004507 ESP Fit Center 3938 is at 1.881203 3.118322 5.004507 ESP Fit Center 3939 is at 2.285794 3.226732 5.004507 ESP Fit Center 3940 is at 2.581975 3.522913 5.004507 ESP Fit Center 3941 is at 3.060411 3.927503 4.820256 ESP Fit Center 3942 is at 2.980782 4.353482 4.820256 ESP Fit Center 3943 is at 2.752648 4.721931 4.820256 ESP Fit Center 3944 is at 2.406821 4.983087 4.820256 ESP Fit Center 3945 is at 1.990007 5.101681 4.820256 ESP Fit Center 3946 is at 1.558497 5.061696 4.820256 ESP Fit Center 3947 is at 1.170571 4.868532 4.820256 ESP Fit Center 3948 is at .878620 4.548276 4.820256 ESP Fit Center 3949 is at .722073 4.144182 4.820256 ESP Fit Center 3950 is at .722073 3.710824 4.820256 ESP Fit Center 3951 is at .878620 3.306730 4.820256 ESP Fit Center 3952 is at 1.170571 2.986475 4.820256 ESP Fit Center 3953 is at 1.990007 2.753326 4.820256 ESP Fit Center 3954 is at 2.406821 2.871920 4.820256 ESP Fit Center 3955 is at 2.752648 3.133076 4.820256 ESP Fit Center 3956 is at 2.980782 3.501524 4.820256 ESP Fit Center 3957 is at 3.390281 3.927503 4.571150 ESP Fit Center 3958 is at 3.329153 4.352660 4.571150 ESP Fit Center 3959 is at 3.150720 4.743373 4.571150 ESP Fit Center 3960 is at 2.869439 5.067989 4.571150 ESP Fit Center 3961 is at 2.508097 5.300209 4.571150 ESP Fit Center 3962 is at 2.095967 5.421221 4.571150 ESP Fit Center 3963 is at 1.666439 5.421221 4.571150 ESP Fit Center 3964 is at 1.254309 5.300209 4.571150 ESP Fit Center 3965 is at .892967 5.067989 4.571150 ESP Fit Center 3966 is at .611686 4.743373 4.571150 ESP Fit Center 3967 is at .433253 4.352660 4.571150 ESP Fit Center 3968 is at .372125 3.927503 4.571150 ESP Fit Center 3969 is at 2.869439 2.787018 4.571150 ESP Fit Center 3970 is at 3.150720 3.111634 4.571150 ESP Fit Center 3971 is at 3.329153 3.502347 4.571150 ESP Fit Center 3972 is at 3.668762 3.927503 4.265671 ESP Fit Center 3973 is at 3.620578 4.339743 4.265671 ESP Fit Center 3974 is at 3.478624 4.729758 4.265671 ESP Fit Center 3975 is at 3.250552 5.076524 4.265671 ESP Fit Center 3976 is at 2.948659 5.361346 4.265671 ESP Fit Center 3977 is at 2.589219 5.568868 4.265671 ESP Fit Center 3978 is at 2.191609 5.687905 4.265671 ESP Fit Center 3979 is at 1.777266 5.712038 4.265671 ESP Fit Center 3980 is at 1.368526 5.639966 4.265671 ESP Fit Center 3981 is at .987424 5.475574 4.265671 ESP Fit Center 3982 is at .654506 5.227726 4.265671 ESP Fit Center 3983 is at .387720 4.909783 4.265671 ESP Fit Center 3984 is at .201447 4.538884 4.265671 ESP Fit Center 3985 is at .105731 4.135026 4.265671 ESP Fit Center 3986 is at .105731 3.719980 4.265671 ESP Fit Center 3987 is at 3.478624 3.125248 4.265671 ESP Fit Center 3988 is at 3.620578 3.515264 4.265671 ESP Fit Center 3989 is at 3.886369 3.927503 3.914224 ESP Fit Center 3990 is at 3.842551 4.344401 3.914224 ESP Fit Center 3991 is at 3.713013 4.743078 3.914224 ESP Fit Center 3992 is at 3.503416 5.106110 3.914224 ESP Fit Center 3993 is at 3.222921 5.417632 3.914224 ESP Fit Center 3994 is at 2.883786 5.664028 3.914224 ESP Fit Center 3995 is at 2.500833 5.834529 3.914224 ESP Fit Center 3996 is at 2.090800 5.921685 3.914224 ESP Fit Center 3997 is at 1.671606 5.921685 3.914224 ESP Fit Center 3998 is at 1.261573 5.834529 3.914224 ESP Fit Center 3999 is at .878620 5.664028 3.914224 ESP Fit Center 4000 is at .539485 5.417632 3.914224 ESP Fit Center 4001 is at .258990 5.106110 3.914224 ESP Fit Center 4002 is at .049393 4.743078 3.914224 ESP Fit Center 4003 is at -.080145 4.344401 3.914224 ESP Fit Center 4004 is at -.123963 3.927503 3.914224 ESP Fit Center 4005 is at 3.842551 3.510606 3.914224 ESP Fit Center 4006 is at 3.994295 4.347823 3.528775 ESP Fit Center 4007 is at 3.871692 4.751991 3.528775 ESP Fit Center 4008 is at 3.672596 5.124474 3.528775 ESP Fit Center 4009 is at 3.404657 5.450957 3.528775 ESP Fit Center 4010 is at 3.078173 5.718896 3.528775 ESP Fit Center 4011 is at 2.705691 5.917992 3.528775 ESP Fit Center 4012 is at 2.301523 6.040595 3.528775 ESP Fit Center 4013 is at 1.881203 6.081993 3.528775 ESP Fit Center 4014 is at 1.460883 6.040595 3.528775 ESP Fit Center 4015 is at 1.056716 5.917992 3.528775 ESP Fit Center 4016 is at .684233 5.718896 3.528775 ESP Fit Center 4017 is at .357749 5.450957 3.528775 ESP Fit Center 4018 is at .089811 5.124474 3.528775 ESP Fit Center 4019 is at -.109286 4.751991 3.528775 ESP Fit Center 4020 is at -.231888 4.347823 3.528775 ESP Fit Center 4021 is at -.273286 3.927503 3.528775 ESP Fit Center 4022 is at 3.951876 4.756476 3.122451 ESP Fit Center 4023 is at 3.757572 5.133373 3.122451 ESP Fit Center 4024 is at 3.495452 5.466686 3.122451 ESP Fit Center 4025 is at 3.174988 5.744370 3.122451 ESP Fit Center 4026 is at 2.807763 5.956387 3.122451 ESP Fit Center 4027 is at 2.407050 6.095075 3.122451 ESP Fit Center 4028 is at 1.987332 6.155422 3.122451 ESP Fit Center 4029 is at 1.563778 6.135245 3.122451 ESP Fit Center 4030 is at 1.151696 6.035275 3.122451 ESP Fit Center 4031 is at .765981 5.859125 3.122451 ESP Fit Center 4032 is at .420573 5.613161 3.122451 ESP Fit Center 4033 is at .127955 5.306273 3.122451 ESP Fit Center 4034 is at -.101295 4.949552 3.122451 ESP Fit Center 4035 is at -.258893 4.555892 3.122451 ESP Fit Center 4036 is at -.339142 4.139521 3.122451 ESP Fit Center 4037 is at 3.951876 4.756476 2.709089 ESP Fit Center 4038 is at 3.757572 5.133373 2.709089 ESP Fit Center 4039 is at 3.495452 5.466686 2.709089 ESP Fit Center 4040 is at 3.174988 5.744370 2.709089 ESP Fit Center 4041 is at 2.807763 5.956387 2.709089 ESP Fit Center 4042 is at 2.407050 6.095075 2.709089 ESP Fit Center 4043 is at 1.987332 6.155422 2.709089 ESP Fit Center 4044 is at 1.563778 6.135245 2.709089 ESP Fit Center 4045 is at 1.151696 6.035275 2.709089 ESP Fit Center 4046 is at .765981 5.859125 2.709089 ESP Fit Center 4047 is at .420573 5.613161 2.709089 ESP Fit Center 4048 is at .127955 5.306273 2.709089 ESP Fit Center 4049 is at -.101295 4.949552 2.709089 ESP Fit Center 4050 is at -.258893 4.555892 2.709089 ESP Fit Center 4051 is at -.339142 4.139521 2.709089 ESP Fit Center 4052 is at -.339142 3.715486 2.709089 ESP Fit Center 4053 is at 3.078173 5.718896 2.302765 ESP Fit Center 4054 is at 2.705691 5.917992 2.302765 ESP Fit Center 4055 is at 2.301523 6.040595 2.302765 ESP Fit Center 4056 is at 1.881203 6.081993 2.302765 ESP Fit Center 4057 is at 1.460883 6.040595 2.302765 ESP Fit Center 4058 is at 1.056716 5.917992 2.302765 ESP Fit Center 4059 is at .684233 5.718896 2.302765 ESP Fit Center 4060 is at .357749 5.450957 2.302765 ESP Fit Center 4061 is at .089811 5.124474 2.302765 ESP Fit Center 4062 is at -.109286 4.751991 2.302765 ESP Fit Center 4063 is at -.231888 4.347823 2.302765 ESP Fit Center 4064 is at -.273286 3.927503 2.302765 ESP Fit Center 4065 is at -.231888 3.507183 2.302765 ESP Fit Center 4066 is at 2.090800 5.921685 1.917316 ESP Fit Center 4067 is at 1.671606 5.921685 1.917316 ESP Fit Center 4068 is at 1.261573 5.834529 1.917316 ESP Fit Center 4069 is at .878620 5.664028 1.917316 ESP Fit Center 4070 is at .539485 5.417632 1.917316 ESP Fit Center 4071 is at .258990 5.106110 1.917316 ESP Fit Center 4072 is at .049393 4.743078 1.917316 ESP Fit Center 4073 is at -.080145 4.344401 1.917316 ESP Fit Center 4074 is at -.123963 3.927503 1.917316 ESP Fit Center 4075 is at -.080145 3.510606 1.917316 ESP Fit Center 4076 is at 1.777266 5.712038 1.565868 ESP Fit Center 4077 is at 1.368526 5.639966 1.565868 ESP Fit Center 4078 is at .987424 5.475574 1.565868 ESP Fit Center 4079 is at .654506 5.227726 1.565868 ESP Fit Center 4080 is at .387720 4.909783 1.565868 ESP Fit Center 4081 is at .201447 4.538884 1.565868 ESP Fit Center 4082 is at .105731 4.135026 1.565868 ESP Fit Center 4083 is at 1.254309 5.300209 1.260390 ESP Fit Center 4084 is at .892967 5.067989 1.260390 ESP Fit Center 4085 is at .611686 4.743373 1.260390 ESP Fit Center 4086 is at 2.995744 .694929 4.402801 ESP Fit Center 4087 is at 3.412500 .694929 4.366339 ESP Fit Center 4088 is at 3.816592 .694929 4.258063 ESP Fit Center 4089 is at 3.706619 1.105354 4.258063 ESP Fit Center 4090 is at 4.195744 .694929 4.081262 ESP Fit Center 4091 is at 4.123375 1.105354 4.081262 ESP Fit Center 4092 is at 3.914997 1.466275 4.081262 ESP Fit Center 4093 is at 4.538434 .694929 3.841307 ESP Fit Center 4094 is at 4.481227 1.111142 3.841307 ESP Fit Center 4095 is at 4.313848 1.496486 3.841307 ESP Fit Center 4096 is at 4.048712 1.822383 3.841307 ESP Fit Center 4097 is at 4.481227 .278717 3.841307 ESP Fit Center 4098 is at 4.834251 .694929 3.545491 ESP Fit Center 4099 is at 4.784693 1.118918 3.545491 ESP Fit Center 4100 is at 4.638694 1.520050 3.545491 ESP Fit Center 4101 is at 4.404122 1.876699 3.545491 ESP Fit Center 4102 is at 4.784693 .270941 3.545491 ESP Fit Center 4103 is at 5.074205 .694929 3.202801 ESP Fit Center 4104 is at 5.031659 1.113320 3.202801 ESP Fit Center 4105 is at 4.905762 1.514583 3.202801 ESP Fit Center 4106 is at 4.701669 1.882288 3.202801 ESP Fit Center 4107 is at 4.427735 2.201383 3.202801 ESP Fit Center 4108 is at 5.210251 1.121741 2.823649 ESP Fit Center 4109 is at 5.089457 1.533126 2.823649 ESP Fit Center 4110 is at 4.892991 1.914216 2.823649 ESP Fit Center 4111 is at 4.627954 2.251239 2.823649 ESP Fit Center 4112 is at 5.009399 -1.132441 3.909332 ESP Fit Center 4113 is at 5.420998 -1.132441 3.871192 ESP Fit Center 4114 is at 5.215199 -.775986 3.871192 ESP Fit Center 4115 is at 4.803600 -.775986 3.871192 ESP Fit Center 4116 is at 5.215199 -1.488896 3.871192 ESP Fit Center 4117 is at 5.818581 -1.132441 3.758070 ESP Fit Center 4118 is at 5.710171 -.727850 3.758070 ESP Fit Center 4119 is at 5.413990 -.431669 3.758070 ESP Fit Center 4120 is at 5.009399 -.323260 3.758070 ESP Fit Center 4121 is at 5.413990 -1.833213 3.758070 ESP Fit Center 4122 is at 5.710171 -1.537032 3.758070 ESP Fit Center 4123 is at 6.188607 -1.132441 3.573819 ESP Fit Center 4124 is at 6.108978 -.706462 3.573819 ESP Fit Center 4125 is at 5.880845 -.338014 3.573819 ESP Fit Center 4126 is at 5.535018 -.076857 3.573819 ESP Fit Center 4127 is at 5.118203 .041737 3.573819 ESP Fit Center 4128 is at 5.535018 -2.188025 3.573819 ESP Fit Center 4129 is at 5.880845 -1.926868 3.573819 ESP Fit Center 4130 is at 6.108978 -1.558420 3.573819 ESP Fit Center 4131 is at 6.518478 -1.132441 3.324712 ESP Fit Center 4132 is at 6.457349 -.707284 3.324712 ESP Fit Center 4133 is at 6.278917 -.316572 3.324712 ESP Fit Center 4134 is at 5.997635 .008044 3.324712 ESP Fit Center 4135 is at 5.636293 .240265 3.324712 ESP Fit Center 4136 is at 5.224164 .361277 3.324712 ESP Fit Center 4137 is at 5.636293 -2.505147 3.324712 ESP Fit Center 4138 is at 5.997635 -2.272926 3.324712 ESP Fit Center 4139 is at 6.278917 -1.948310 3.324712 ESP Fit Center 4140 is at 6.457349 -1.557597 3.324712 ESP Fit Center 4141 is at 6.796958 -1.132441 3.019234 ESP Fit Center 4142 is at 6.748774 -.720202 3.019234 ESP Fit Center 4143 is at 6.606820 -.330186 3.019234 ESP Fit Center 4144 is at 6.378749 .016580 3.019234 ESP Fit Center 4145 is at 6.076855 .301401 3.019234 ESP Fit Center 4146 is at 5.717415 .508924 3.019234 ESP Fit Center 4147 is at 5.319806 .627961 3.019234 ESP Fit Center 4148 is at 5.717415 -2.773806 3.019234 ESP Fit Center 4149 is at 6.076855 -2.566283 3.019234 ESP Fit Center 4150 is at 6.378749 -2.281461 3.019234 ESP Fit Center 4151 is at 6.606820 -1.934696 3.019234 ESP Fit Center 4152 is at 6.748774 -1.544680 3.019234 ESP Fit Center 4153 is at 7.014565 -1.132441 2.667786 ESP Fit Center 4154 is at 6.970747 -.715544 2.667786 ESP Fit Center 4155 is at 6.841209 -.316867 2.667786 ESP Fit Center 4156 is at 6.631613 .046166 2.667786 ESP Fit Center 4157 is at 6.351117 .357688 2.667786 ESP Fit Center 4158 is at 6.011982 .604084 2.667786 ESP Fit Center 4159 is at 5.629030 .774585 2.667786 ESP Fit Center 4160 is at 5.629030 -3.039467 2.667786 ESP Fit Center 4161 is at 6.011982 -2.868965 2.667786 ESP Fit Center 4162 is at 6.351117 -2.622569 2.667786 ESP Fit Center 4163 is at 6.631613 -2.311048 2.667786 ESP Fit Center 4164 is at 6.841209 -1.948015 2.667786 ESP Fit Center 4165 is at 6.970747 -1.549338 2.667786 ESP Fit Center 4166 is at 7.163889 -1.132441 2.282337 ESP Fit Center 4167 is at 7.122491 -.712121 2.282337 ESP Fit Center 4168 is at 6.999888 -.307954 2.282337 ESP Fit Center 4169 is at 6.800792 .064529 2.282337 ESP Fit Center 4170 is at 6.532853 .391013 2.282337 ESP Fit Center 4171 is at 6.206370 .658952 2.282337 ESP Fit Center 4172 is at 5.833887 .858048 2.282337 ESP Fit Center 4173 is at 6.206370 -2.923833 2.282337 ESP Fit Center 4174 is at 7.080073 -.303468 1.876013 ESP Fit Center 4175 is at 6.885769 .073428 1.876013 ESP Fit Center 4176 is at 6.623648 .406742 1.876013 ESP Fit Center 4177 is at 6.303184 .684426 1.876013 ESP Fit Center 4178 is at 5.935959 .896443 1.876013 ESP Fit Center 4179 is at 2.284860 -3.944460 2.722654 ESP Fit Center 4180 is at 1.574228 -4.076307 2.538402 ESP Fit Center 4181 is at 1.962154 -4.269471 2.538402 ESP Fit Center 4182 is at 2.393663 -4.309456 2.538402 ESP Fit Center 4183 is at 2.810478 -4.190862 2.538402 ESP Fit Center 4184 is at 1.015342 -3.951148 2.289296 ESP Fit Center 4185 is at 1.296624 -4.275764 2.289296 ESP Fit Center 4186 is at 1.657966 -4.507984 2.289296 ESP Fit Center 4187 is at 2.070095 -4.628997 2.289296 ESP Fit Center 4188 is at 2.499624 -4.628997 2.289296 ESP Fit Center 4189 is at 2.911753 -4.507984 2.289296 ESP Fit Center 4190 is at 3.273096 -4.275764 2.289296 ESP Fit Center 4191 is at .509388 -3.342801 1.983818 ESP Fit Center 4192 is at .605104 -3.746660 1.983818 ESP Fit Center 4193 is at .791376 -4.117558 1.983818 ESP Fit Center 4194 is at 1.058163 -4.435502 1.983818 ESP Fit Center 4195 is at 1.391080 -4.683350 1.983818 ESP Fit Center 4196 is at 1.772182 -4.847741 1.983818 ESP Fit Center 4197 is at 2.180922 -4.919813 1.983818 ESP Fit Center 4198 is at 2.595266 -4.895680 1.983818 ESP Fit Center 4199 is at 2.992875 -4.776644 1.983818 ESP Fit Center 4200 is at 3.352316 -4.569121 1.983818 ESP Fit Center 4201 is at .323512 -2.718381 1.632370 ESP Fit Center 4202 is at .279694 -3.135279 1.632370 ESP Fit Center 4203 is at .323512 -3.552176 1.632370 ESP Fit Center 4204 is at .453050 -3.950853 1.632370 ESP Fit Center 4205 is at .662646 -4.313885 1.632370 ESP Fit Center 4206 is at .943142 -4.625407 1.632370 ESP Fit Center 4207 is at 1.282277 -4.871803 1.632370 ESP Fit Center 4208 is at 1.665229 -5.042305 1.632370 ESP Fit Center 4209 is at 2.075263 -5.129460 1.632370 ESP Fit Center 4210 is at 2.494457 -5.129460 1.632370 ESP Fit Center 4211 is at 2.904490 -5.042305 1.632370 ESP Fit Center 4212 is at .294371 -2.310791 1.246921 ESP Fit Center 4213 is at .171768 -2.714959 1.246921 ESP Fit Center 4214 is at .130370 -3.135279 1.246921 ESP Fit Center 4215 is at .171768 -3.555599 1.246921 ESP Fit Center 4216 is at .294371 -3.959766 1.246921 ESP Fit Center 4217 is at .493467 -4.332249 1.246921 ESP Fit Center 4218 is at .761406 -4.658733 1.246921 ESP Fit Center 4219 is at 1.087889 -4.926671 1.246921 ESP Fit Center 4220 is at 1.460372 -5.125767 1.246921 ESP Fit Center 4221 is at 1.864540 -5.248370 1.246921 ESP Fit Center 4222 is at 2.284860 -5.289768 1.246921 ESP Fit Center 4223 is at 2.705180 -5.248370 1.246921 ESP Fit Center 4224 is at 3.109347 -5.125767 1.246921 ESP Fit Center 4225 is at .144764 -3.763667 .840597 ESP Fit Center 4226 is at .302361 -4.157327 .840597 ESP Fit Center 4227 is at .531612 -4.514048 .840597 ESP Fit Center 4228 is at .824229 -4.820936 .840597 ESP Fit Center 4229 is at 1.169637 -5.066900 .840597 ESP Fit Center 4230 is at 1.555353 -5.243051 .840597 ESP Fit Center 4231 is at 1.967434 -5.343020 .840597 ESP Fit Center 4232 is at 2.390988 -5.363197 .840597 ESP Fit Center 4233 is at 2.810707 -5.302850 .840597 ESP Fit Center 4234 is at .531612 -4.514048 .427235 ESP Fit Center 4235 is at .824229 -4.820936 .427235 ESP Fit Center 4236 is at 1.169637 -5.066900 .427235 ESP Fit Center 4237 is at 1.555353 -5.243051 .427235 ESP Fit Center 4238 is at 1.967434 -5.343020 .427235 ESP Fit Center 4239 is at 2.390988 -5.363197 .427235 ESP Fit Center 4240 is at 2.810707 -5.302850 .427235 ESP Fit Center 4241 is at .761406 -4.658733 .020911 ESP Fit Center 4242 is at 1.087889 -4.926671 .020911 ESP Fit Center 4243 is at 1.460372 -5.125767 .020911 ESP Fit Center 4244 is at 1.864540 -5.248370 .020911 ESP Fit Center 4245 is at 2.284860 -5.289768 .020911 ESP Fit Center 4246 is at 2.705180 -5.248370 .020911 ESP Fit Center 4247 is at 3.109347 -5.125767 .020911 ESP Fit Center 4248 is at 1.282277 -4.871803 -.364538 ESP Fit Center 4249 is at 1.665229 -5.042305 -.364538 ESP Fit Center 4250 is at 2.075263 -5.129460 -.364538 ESP Fit Center 4251 is at 2.494457 -5.129460 -.364538 ESP Fit Center 4252 is at 2.904490 -5.042305 -.364538 ESP Fit Center 4253 is at 1.772182 -4.847741 -.715986 ESP Fit Center 4254 is at 2.180922 -4.919813 -.715986 ESP Fit Center 4255 is at 2.595266 -4.895680 -.715986 ESP Fit Center 4256 is at 2.992875 -4.776644 -.715986 ESP Fit Center 4257 is at 2.070095 -4.628997 -1.021464 ESP Fit Center 4258 is at 2.499624 -4.628997 -1.021464 ESP Fit Center 4259 is at 2.911753 -4.507984 -1.021464 ESP Fit Center 4260 is at 2.393663 -4.309456 -1.270570 ESP Fit Center 4261 is at 2.810478 -4.190862 -1.270570 ESP Fit Center 4262 is at 2.689450 -3.836050 -1.454822 ESP Fit Center 4263 is at 5.000909 -3.898621 2.813569 ESP Fit Center 4264 is at 5.412508 -3.898621 2.775429 ESP Fit Center 4265 is at 4.795110 -4.255076 2.775429 ESP Fit Center 4266 is at 5.206709 -4.255076 2.775429 ESP Fit Center 4267 is at 5.810091 -3.898621 2.662307 ESP Fit Center 4268 is at 5.701681 -3.494030 2.662307 ESP Fit Center 4269 is at 4.300138 -4.303212 2.662307 ESP Fit Center 4270 is at 4.596319 -4.599393 2.662307 ESP Fit Center 4271 is at 5.000909 -4.707802 2.662307 ESP Fit Center 4272 is at 5.405500 -4.599393 2.662307 ESP Fit Center 4273 is at 5.701681 -4.303212 2.662307 ESP Fit Center 4274 is at 6.180117 -3.898621 2.478055 ESP Fit Center 4275 is at 6.100488 -3.472642 2.478055 ESP Fit Center 4276 is at 5.872355 -3.104194 2.478055 ESP Fit Center 4277 is at 3.998326 -4.519394 2.478055 ESP Fit Center 4278 is at 4.290278 -4.839649 2.478055 ESP Fit Center 4279 is at 4.678204 -5.032814 2.478055 ESP Fit Center 4280 is at 5.109713 -5.072799 2.478055 ESP Fit Center 4281 is at 5.526528 -4.954205 2.478055 ESP Fit Center 4282 is at 5.872355 -4.693048 2.478055 ESP Fit Center 4283 is at 6.100488 -4.324600 2.478055 ESP Fit Center 4284 is at 6.509988 -3.898621 2.228949 ESP Fit Center 4285 is at 6.448859 -3.473465 2.228949 ESP Fit Center 4286 is at 6.270427 -3.082752 2.228949 ESP Fit Center 4287 is at 3.552959 -4.323777 2.228949 ESP Fit Center 4288 is at 3.731392 -4.714490 2.228949 ESP Fit Center 4289 is at 4.012673 -5.039106 2.228949 ESP Fit Center 4290 is at 4.374016 -5.271327 2.228949 ESP Fit Center 4291 is at 4.786145 -5.392339 2.228949 ESP Fit Center 4292 is at 5.215674 -5.392339 2.228949 ESP Fit Center 4293 is at 5.627803 -5.271327 2.228949 ESP Fit Center 4294 is at 5.989145 -5.039106 2.228949 ESP Fit Center 4295 is at 6.270427 -4.714490 2.228949 ESP Fit Center 4296 is at 6.448859 -4.323777 2.228949 ESP Fit Center 4297 is at 6.788468 -3.898621 1.923471 ESP Fit Center 4298 is at 6.740284 -3.486382 1.923471 ESP Fit Center 4299 is at 3.507426 -4.880900 1.923471 ESP Fit Center 4300 is at 3.774212 -5.198844 1.923471 ESP Fit Center 4301 is at 4.107130 -5.446692 1.923471 ESP Fit Center 4302 is at 4.488232 -5.611083 1.923471 ESP Fit Center 4303 is at 4.896972 -5.683155 1.923471 ESP Fit Center 4304 is at 5.311316 -5.659023 1.923471 ESP Fit Center 4305 is at 5.708925 -5.539986 1.923471 ESP Fit Center 4306 is at 6.068365 -5.332463 1.923471 ESP Fit Center 4307 is at 6.370259 -5.047642 1.923471 ESP Fit Center 4308 is at 6.598330 -4.700876 1.923471 ESP Fit Center 4309 is at 6.740284 -4.310860 1.923471 ESP Fit Center 4310 is at 7.006075 -3.898621 1.572023 ESP Fit Center 4311 is at 3.378696 -5.077228 1.572023 ESP Fit Center 4312 is at 3.659191 -5.388750 1.572023 ESP Fit Center 4313 is at 3.998326 -5.635145 1.572023 ESP Fit Center 4314 is at 4.381279 -5.805647 1.572023 ESP Fit Center 4315 is at 4.791312 -5.892802 1.572023 ESP Fit Center 4316 is at 5.210506 -5.892802 1.572023 ESP Fit Center 4317 is at 5.620540 -5.805647 1.572023 ESP Fit Center 4318 is at 6.003492 -5.635145 1.572023 ESP Fit Center 4319 is at 6.342627 -5.388750 1.572023 ESP Fit Center 4320 is at 3.477455 -5.422075 1.186574 ESP Fit Center 4321 is at 3.803939 -5.690013 1.186574 ESP Fit Center 4322 is at 4.176422 -5.889110 1.186574 ESP Fit Center 4323 is at 4.580589 -6.011713 1.186574 ESP Fit Center 4324 is at 5.000909 -6.053110 1.186574 ESP Fit Center 4325 is at 5.421229 -6.011713 1.186574 ESP Fit Center 4326 is at 5.825397 -5.889110 1.186574 ESP Fit Center 4327 is at 3.247661 -5.277390 .780250 ESP Fit Center 4328 is at 3.540279 -5.584279 .780250 ESP Fit Center 4329 is at 3.885687 -5.830243 .780250 ESP Fit Center 4330 is at 4.271402 -6.006393 .780250 ESP Fit Center 4331 is at 4.683484 -6.106363 .780250 ESP Fit Center 4332 is at 5.107038 -6.126539 .780250 ESP Fit Center 4333 is at 3.247661 -5.277390 .366888 ESP Fit Center 4334 is at 3.540279 -5.584279 .366888 ESP Fit Center 4335 is at 3.885687 -5.830243 .366888 ESP Fit Center 4336 is at 4.271402 -6.006393 .366888 ESP Fit Center 4337 is at 4.683484 -6.106363 .366888 ESP Fit Center 4338 is at 5.107038 -6.126539 .366888 ESP Fit Center 4339 is at 3.209517 -5.095591 -.039436 ESP Fit Center 4340 is at 3.477455 -5.422075 -.039436 ESP Fit Center 4341 is at 3.803939 -5.690013 -.039436 ESP Fit Center 4342 is at 4.176422 -5.889110 -.039436 ESP Fit Center 4343 is at 4.580589 -6.011713 -.039436 ESP Fit Center 4344 is at 5.000909 -6.053110 -.039436 ESP Fit Center 4345 is at 3.378696 -5.077228 -.424885 ESP Fit Center 4346 is at 3.659191 -5.388750 -.424885 ESP Fit Center 4347 is at 3.998326 -5.635145 -.424885 ESP Fit Center 4348 is at 4.381279 -5.805647 -.424885 ESP Fit Center 4349 is at 4.791312 -5.892802 -.424885 ESP Fit Center 4350 is at 3.507426 -4.880900 -.776333 ESP Fit Center 4351 is at 3.774212 -5.198844 -.776333 ESP Fit Center 4352 is at 4.107130 -5.446692 -.776333 ESP Fit Center 4353 is at 4.488232 -5.611083 -.776333 ESP Fit Center 4354 is at 3.731392 -4.714490 -1.081811 ESP Fit Center 4355 is at 4.012673 -5.039106 -1.081811 ESP Fit Center 4356 is at 4.374016 -5.271327 -1.081811 ESP Fit Center 4357 is at 4.290278 -4.839649 -1.330917 ESP Fit Center 4358 is at 4.678204 -5.032814 -1.330917 ESP Fit Center 4359 is at 6.715854 1.183649 -2.054442 ESP Fit Center 4360 is at 6.908996 .766752 -2.439891 ESP Fit Center 4361 is at 6.867598 1.187072 -2.439891 ESP Fit Center 4362 is at 6.744995 1.591239 -2.439891 ESP Fit Center 4363 is at 6.545899 1.963722 -2.439891 ESP Fit Center 4364 is at 6.984951 .766752 -2.846215 ESP Fit Center 4365 is at 6.944644 1.188866 -2.846215 ESP Fit Center 4366 is at 6.825179 1.595724 -2.846215 ESP Fit Center 4367 is at 6.630876 1.972621 -2.846215 ESP Fit Center 4368 is at 6.368755 2.305935 -2.846215 ESP Fit Center 4369 is at 6.048291 2.583618 -2.846215 ESP Fit Center 4370 is at 6.944644 .344637 -2.846215 ESP Fit Center 4371 is at 6.984951 .766752 -3.259577 ESP Fit Center 4372 is at 6.944644 1.188866 -3.259577 ESP Fit Center 4373 is at 6.825179 1.595724 -3.259577 ESP Fit Center 4374 is at 6.630876 1.972621 -3.259577 ESP Fit Center 4375 is at 6.368755 2.305935 -3.259577 ESP Fit Center 4376 is at 6.048291 2.583618 -3.259577 ESP Fit Center 4377 is at 5.681066 2.795635 -3.259577 ESP Fit Center 4378 is at 4.860635 -1.461167 -3.259577 ESP Fit Center 4379 is at 5.280353 -1.400820 -3.259577 ESP Fit Center 4380 is at 6.825179 -.062221 -3.259577 ESP Fit Center 4381 is at 6.944644 .344637 -3.259577 ESP Fit Center 4382 is at 6.908996 .766752 -3.665901 ESP Fit Center 4383 is at 6.867598 1.187072 -3.665901 ESP Fit Center 4384 is at 6.744995 1.591239 -3.665901 ESP Fit Center 4385 is at 6.545899 1.963722 -3.665901 ESP Fit Center 4386 is at 6.277960 2.290206 -3.665901 ESP Fit Center 4387 is at 5.951476 2.558144 -3.665901 ESP Fit Center 4388 is at 5.578994 2.757240 -3.665901 ESP Fit Center 4389 is at 5.174826 2.879843 -3.665901 ESP Fit Center 4390 is at 4.334186 -1.346340 -3.665901 ESP Fit Center 4391 is at 4.754506 -1.387738 -3.665901 ESP Fit Center 4392 is at 5.174826 -1.346340 -3.665901 ESP Fit Center 4393 is at 5.578994 -1.223737 -3.665901 ESP Fit Center 4394 is at 5.951476 -1.024641 -3.665901 ESP Fit Center 4395 is at 6.277960 -.756702 -3.665901 ESP Fit Center 4396 is at 6.545899 -.430219 -3.665901 ESP Fit Center 4397 is at 6.744995 -.057736 -3.665901 ESP Fit Center 4398 is at 6.867598 .346432 -3.665901 ESP Fit Center 4399 is at 6.759672 .766752 -4.051350 ESP Fit Center 4400 is at 6.715854 1.183649 -4.051350 ESP Fit Center 4401 is at 6.586316 1.582326 -4.051350 ESP Fit Center 4402 is at 6.376719 1.945358 -4.051350 ESP Fit Center 4403 is at 6.096224 2.256880 -4.051350 ESP Fit Center 4404 is at 5.757089 2.503276 -4.051350 ESP Fit Center 4405 is at 5.374137 2.673778 -4.051350 ESP Fit Center 4406 is at 4.964103 2.760933 -4.051350 ESP Fit Center 4407 is at 4.134876 -1.140274 -4.051350 ESP Fit Center 4408 is at 4.544909 -1.227430 -4.051350 ESP Fit Center 4409 is at 4.964103 -1.227430 -4.051350 ESP Fit Center 4410 is at 5.374137 -1.140274 -4.051350 ESP Fit Center 4411 is at 5.757089 -.969773 -4.051350 ESP Fit Center 4412 is at 6.096224 -.723377 -4.051350 ESP Fit Center 4413 is at 6.376719 -.411855 -4.051350 ESP Fit Center 4414 is at 6.586316 -.048823 -4.051350 ESP Fit Center 4415 is at 6.715854 .349854 -4.051350 ESP Fit Center 4416 is at 6.542065 .766752 -4.402797 ESP Fit Center 4417 is at 6.493881 1.178991 -4.402797 ESP Fit Center 4418 is at 6.351927 1.569006 -4.402797 ESP Fit Center 4419 is at 6.123856 1.915772 -4.402797 ESP Fit Center 4420 is at 5.821962 2.200594 -4.402797 ESP Fit Center 4421 is at 5.462522 2.408117 -4.402797 ESP Fit Center 4422 is at 5.064913 2.527153 -4.402797 ESP Fit Center 4423 is at 4.650569 2.551286 -4.402797 ESP Fit Center 4424 is at 4.241829 2.479214 -4.402797 ESP Fit Center 4425 is at 3.860727 -.781320 -4.402797 ESP Fit Center 4426 is at 4.241829 -.945711 -4.402797 ESP Fit Center 4427 is at 4.650569 -1.017783 -4.402797 ESP Fit Center 4428 is at 5.064913 -.993650 -4.402797 ESP Fit Center 4429 is at 5.462522 -.874613 -4.402797 ESP Fit Center 4430 is at 5.821962 -.667091 -4.402797 ESP Fit Center 4431 is at 6.123856 -.382269 -4.402797 ESP Fit Center 4432 is at 6.351927 -.035503 -4.402797 ESP Fit Center 4433 is at 6.493881 .354512 -4.402797 ESP Fit Center 4434 is at 6.263584 .766752 -4.708276 ESP Fit Center 4435 is at 6.202456 1.191908 -4.708276 ESP Fit Center 4436 is at 6.024024 1.582621 -4.708276 ESP Fit Center 4437 is at 5.742742 1.907237 -4.708276 ESP Fit Center 4438 is at 5.381400 2.139457 -4.708276 ESP Fit Center 4439 is at 4.969270 2.260470 -4.708276 ESP Fit Center 4440 is at 4.539742 2.260470 -4.708276 ESP Fit Center 4441 is at 4.127612 2.139457 -4.708276 ESP Fit Center 4442 is at 3.766270 1.907237 -4.708276 ESP Fit Center 4443 is at 3.484989 -.049118 -4.708276 ESP Fit Center 4444 is at 3.766270 -.373734 -4.708276 ESP Fit Center 4445 is at 4.127612 -.605954 -4.708276 ESP Fit Center 4446 is at 4.539742 -.726966 -4.708276 ESP Fit Center 4447 is at 4.969270 -.726966 -4.708276 ESP Fit Center 4448 is at 5.381400 -.605954 -4.708276 ESP Fit Center 4449 is at 5.742742 -.373734 -4.708276 ESP Fit Center 4450 is at 6.024024 -.049118 -4.708276 ESP Fit Center 4451 is at 6.202456 .341595 -4.708276 ESP Fit Center 4452 is at 5.933714 .766752 -4.957382 ESP Fit Center 4453 is at 5.854085 1.192731 -4.957382 ESP Fit Center 4454 is at 5.625951 1.561179 -4.957382 ESP Fit Center 4455 is at 5.280124 1.822335 -4.957382 ESP Fit Center 4456 is at 4.863310 1.940929 -4.957382 ESP Fit Center 4457 is at 4.431801 1.900944 -4.957382 ESP Fit Center 4458 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is at 2.887041 4.438052 -1.770557 ESP Fit Center 4515 is at 2.474959 4.338082 -1.770557 ESP Fit Center 4516 is at 2.089244 4.161932 -1.770557 ESP Fit Center 4517 is at 1.743836 3.915968 -1.770557 ESP Fit Center 4518 is at 1.451218 3.609080 -1.770557 ESP Fit Center 4519 is at 1.221968 3.252359 -1.770557 ESP Fit Center 4520 is at 1.064370 2.858699 -1.770557 ESP Fit Center 4521 is at .984121 2.442328 -1.770557 ESP Fit Center 4522 is at 4.727920 3.753764 -2.176881 ESP Fit Center 4523 is at 4.401437 4.021703 -2.176881 ESP Fit Center 4524 is at 4.028954 4.220799 -2.176881 ESP Fit Center 4525 is at 3.624786 4.343402 -2.176881 ESP Fit Center 4526 is at 3.204466 4.384800 -2.176881 ESP Fit Center 4527 is at 2.784146 4.343402 -2.176881 ESP Fit Center 4528 is at 2.379979 4.220799 -2.176881 ESP Fit Center 4529 is at 2.007496 4.021703 -2.176881 ESP Fit Center 4530 is at 1.681012 3.753764 -2.176881 ESP Fit Center 4531 is at 1.413074 3.427281 -2.176881 ESP Fit Center 4532 is at 1.213978 3.054798 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Center 4607 is at .883771 .634761 -4.651325 ESP Fit Center 4608 is at .587590 .930941 -4.651325 ESP Fit Center 4609 is at .183000 1.039351 -4.651325 ESP Fit Center 4610 is at -.221591 .930941 -4.651325 ESP Fit Center 4611 is at .183000 -.579011 -4.651325 ESP Fit Center 4612 is at .587590 -.470602 -4.651325 ESP Fit Center 4613 is at .883771 -.174421 -4.651325 ESP Fit Center 4614 is at .594599 .230170 -4.764447 ESP Fit Center 4615 is at .388799 .586625 -4.764447 ESP Fit Center 4616 is at -.022800 .586625 -4.764447 ESP Fit Center 4617 is at .388799 -.126285 -4.764447 ESP Fit Center 4618 is at .183000 .230170 -4.802587 ESP Fit Center 4619 is at -2.950350 -1.497362 -3.421546 ESP Fit Center 4620 is at -2.654477 -1.807664 -3.421546 ESP Fit Center 4621 is at -.240725 -2.154710 -3.421546 ESP Fit Center 4622 is at -1.698566 -2.115361 -3.800698 ESP Fit Center 4623 is at -1.282867 -2.179044 -3.800698 ESP Fit Center 4624 is at -.862858 -2.157744 -3.800698 ESP Fit Center 4625 is at -.455734 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Fit Center 4644 is at -3.483626 -.500376 1.099112 ESP Fit Center 4645 is at -6.505159 .926113 -2.282085 ESP Fit Center 4646 is at -6.696741 .544643 -2.282085 ESP Fit Center 4647 is at -6.696741 -.712969 -2.282085 ESP Fit Center 4648 is at -6.384082 .530447 -2.577901 ESP Fit Center 4649 is at -6.497431 .125900 -2.577901 ESP Fit Center 4650 is at -6.497431 -.294226 -2.577901 ESP Fit Center 4651 is at -6.384082 -.698772 -2.577901 ESP Fit Center 4652 is at -6.096741 .326261 -2.817856 ESP Fit Center 4653 is at -6.169110 -.084163 -2.817856 ESP Fit Center 4654 is at -6.096741 -.494587 -2.817856 ESP Fit Center 4655 is at -5.679985 .326261 -2.994657 ESP Fit Center 4656 is at -5.789958 -.084163 -2.994657 ESP Fit Center 4657 is at -5.679985 -.494587 -2.994657 ESP Fit Center 4658 is at -5.385865 -.084163 -3.102933 ESP Fit Center 4659 is at -5.707163 -.070189 2.345439 ESP Fit Center 4660 is at -5.915541 -.431110 2.345439 ESP Fit Center 4661 is at -5.303070 -.070189 2.237162 ESP Fit Center 4662 is 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3.320183 .014129 ESP Fit Center 4737 is at -6.915636 3.339193 .014129 ESP Fit Center 4738 is at -7.335533 3.282314 .014129 ESP Fit Center 4739 is at -7.738526 3.151374 .014129 ESP Fit Center 4740 is at -8.111662 2.950581 .014129 ESP Fit Center 4741 is at -5.872726 3.029493 -.389964 ESP Fit Center 4742 is at -6.277898 3.169725 -.389964 ESP Fit Center 4743 is at -6.702286 3.230743 -.389964 ESP Fit Center 4744 is at -7.130553 3.210342 -.389964 ESP Fit Center 4745 is at -7.547220 3.109259 -.389964 ESP Fit Center 4746 is at -7.937227 2.931149 -.389964 ESP Fit Center 4747 is at -8.286479 2.682448 -.389964 ESP Fit Center 4748 is at -6.494859 3.032528 -.769116 ESP Fit Center 4749 is at -6.914868 3.053828 -.769116 ESP Fit Center 4750 is at -7.330567 2.990145 -.769116 ESP Fit Center 4751 is at -7.724938 2.844086 -.769116 ESP Fit Center 4752 is at -8.081834 2.621631 -.769116 ESP Fit Center 4753 is at -8.386645 2.331887 -.769116 ESP Fit Center 4754 is at -8.626891 1.986716 -.769116 ESP Fit Center 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4.571965 -1.984729 ESP Fit Center 5431 is at -3.502242 4.571965 -1.984729 ESP Fit Center 5432 is at -3.914372 4.450953 -1.984729 ESP Fit Center 5433 is at -4.275714 4.218732 -1.984729 ESP Fit Center 5434 is at -4.556995 3.894116 -1.984729 ESP Fit Center 5435 is at -2.416033 3.872674 -2.233835 ESP Fit Center 5436 is at -2.761860 4.133831 -2.233835 ESP Fit Center 5437 is at -3.178674 4.252425 -2.233835 ESP Fit Center 5438 is at -3.610184 4.212440 -2.233835 ESP Fit Center 5439 is at -3.998110 4.019275 -2.233835 ESP Fit Center 5440 is at -4.290061 3.699020 -2.233835 ESP Fit Center 5441 is at -2.882887 3.779019 -2.418087 ESP Fit Center 5442 is at -3.287478 3.887428 -2.418087 ESP Fit Center 5443 is at -3.692069 3.779019 -2.418087 ESP Fit Center 5444 is at -3.988250 3.482838 -2.418087 ESP Fit Center 5445 is at -3.081678 3.434702 -2.531209 ESP Fit Center 5446 is at -3.493277 3.434702 -2.531209 ESP Fit Center 5447 is at -3.699077 3.078247 -2.531209 ESP Fit Center 5448 is at -3.287478 3.078247 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5505 is at -.189270 -2.146898 .409288 ESP Fit Center 5506 is at -.478090 -2.355376 .160181 ESP Fit Center 5507 is at -.299658 -2.746088 .160181 ESP Fit Center 5508 is at -.805612 -2.137742 -.145297 ESP Fit Center 5509 is at -.709896 -2.541600 -.145297 ESP Fit Center 5510 is at -.523624 -2.912499 -.145297 ESP Fit Center 5511 is at -.256838 -3.230442 -.145297 ESP Fit Center 5512 is at -.991489 -2.347117 -.496745 ESP Fit Center 5513 is at -.861951 -2.745793 -.496745 ESP Fit Center 5514 is at -.652354 -3.108826 -.496745 ESP Fit Center 5515 is at -.371858 -3.420348 -.496745 ESP Fit Center 5516 is at -1.020629 -2.754707 -.882193 ESP Fit Center 5517 is at -.821533 -3.127189 -.882193 ESP Fit Center 5518 is at -.553595 -3.453673 -.882193 ESP Fit Center 5519 is at -.227111 -3.721612 -.882193 ESP Fit Center 5520 is at .145372 -3.920708 -.882193 ESP Fit Center 5521 is at -1.012639 -2.952268 -1.288517 ESP Fit Center 5522 is at -.783388 -3.308988 -1.288517 ESP Fit Center 5523 is at -.490771 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Fit Center 5560 is at -.256838 -3.230442 -2.845100 ESP Fit Center 5561 is at .076080 -3.478290 -2.845100 ESP Fit Center 5562 is at .457182 -3.642681 -2.845100 ESP Fit Center 5563 is at .865922 -3.714753 -2.845100 ESP Fit Center 5564 is at 1.280266 -3.690621 -2.845100 ESP Fit Center 5565 is at 1.677875 -3.571584 -2.845100 ESP Fit Center 5566 is at 2.037316 -3.364061 -2.845100 ESP Fit Center 5567 is at 2.339209 -3.079240 -2.845100 ESP Fit Center 5568 is at 2.567280 -2.732474 -2.845100 ESP Fit Center 5569 is at -.299658 -2.746088 -3.150578 ESP Fit Center 5570 is at -.018377 -3.070704 -3.150578 ESP Fit Center 5571 is at .342966 -3.302925 -3.150578 ESP Fit Center 5572 is at .755095 -3.423937 -3.150578 ESP Fit Center 5573 is at 1.184624 -3.423937 -3.150578 ESP Fit Center 5574 is at 1.596753 -3.302925 -3.150578 ESP Fit Center 5575 is at 1.958096 -3.070704 -3.150578 ESP Fit Center 5576 is at 2.239377 -2.746088 -3.150578 ESP Fit Center 5577 is at -.189270 -2.146898 -3.399685 ESP Fit Center 5578 is at -.032723 -2.550992 -3.399685 ESP Fit Center 5579 is at .259228 -2.871247 -3.399685 ESP Fit Center 5580 is at .647154 -3.064412 -3.399685 ESP Fit Center 5581 is at 1.078663 -3.104397 -3.399685 ESP Fit Center 5582 is at 1.495478 -2.985803 -3.399685 ESP Fit Center 5583 is at 1.841305 -2.724646 -3.399685 ESP Fit Center 5584 is at .269088 -2.334810 -3.583936 ESP Fit Center 5585 is at .565269 -2.630991 -3.583936 ESP Fit Center 5586 is at .969860 -2.739400 -3.583936 ESP Fit Center 5587 is at 1.374450 -2.630991 -3.583936 ESP Fit Center 5588 is at 6.845574 .322761 1.724877 ESP Fit Center 5589 is at 6.631953 .692761 1.724877 ESP Fit Center 5590 is at 7.251390 .322761 1.582876 ESP Fit Center 5591 is at 7.139782 .739289 1.582876 ESP Fit Center 5592 is at 6.834862 1.044209 1.582876 ESP Fit Center 5593 is at 6.418333 1.155817 1.582876 ESP Fit Center 5594 is at 6.001805 1.044209 1.582876 ESP Fit Center 5595 is at 7.139782 -.093768 1.582876 ESP Fit Center 5596 is at 7.615434 .322761 1.354132 ESP Fit Center 5597 is at 7.543240 .732193 1.354132 ESP Fit Center 5598 is at 7.335365 1.092242 1.354132 ESP Fit Center 5599 is at 7.016884 1.359480 1.354132 ESP Fit Center 5600 is at 6.626208 1.501674 1.354132 ESP Fit Center 5601 is at 6.210459 1.501674 1.354132 ESP Fit Center 5602 is at 5.819783 1.359480 1.354132 ESP Fit Center 5603 is at 7.543240 -.086672 1.354132 ESP Fit Center 5604 is at 7.919450 .322761 1.050116 ESP Fit Center 5605 is at 7.858644 .745674 1.050116 ESP Fit Center 5606 is at 7.681153 1.134325 1.050116 ESP Fit Center 5607 is at 7.401356 1.457229 1.050116 ESP Fit Center 5608 is at 7.041920 1.688224 1.050116 ESP Fit Center 5609 is at 6.631964 1.808598 1.050116 ESP Fit Center 5610 is at 6.204702 1.808598 1.050116 ESP Fit Center 5611 is at 5.794747 1.688224 1.050116 ESP Fit Center 5612 is at 7.858644 -.100153 1.050116 ESP Fit Center 5613 is at 8.148194 .322761 .686073 ESP Fit Center 5614 is at 8.097927 .736743 .686073 ESP Fit Center 5615 is at 7.950049 1.126667 .686073 ESP Fit Center 5616 is at 7.713152 1.469870 .686073 ESP Fit Center 5617 is at 7.401006 1.746408 .686073 ESP Fit Center 5618 is at 7.031750 1.940208 .686073 ESP Fit Center 5619 is at 6.626845 2.040008 .686073 ESP Fit Center 5620 is at 6.209822 2.040008 .686073 ESP Fit Center 5621 is at 5.804916 1.940208 .686073 ESP Fit Center 5622 is at 7.950049 -.481146 .686073 ESP Fit Center 5623 is at 8.097927 -.091222 .686073 ESP Fit Center 5624 is at 8.290195 .322761 .280256 ESP Fit Center 5625 is at 8.243263 .739289 .280256 ESP Fit Center 5626 is at 8.104822 1.134931 .280256 ESP Fit Center 5627 is at 7.881814 1.489847 .280256 ESP Fit Center 5628 is at 7.585420 1.786241 .280256 ESP Fit Center 5629 is at 7.230504 2.009250 .280256 ESP Fit Center 5630 is at 6.834862 2.147691 .280256 ESP Fit Center 5631 is at 6.418333 2.194622 .280256 ESP Fit Center 5632 is at 6.001805 2.147691 .280256 ESP Fit Center 5633 is at 8.104822 -.489410 .280256 ESP Fit Center 5634 is at 8.243263 -.093768 .280256 ESP Fit Center 5635 is at 8.338333 .322761 -.146984 ESP Fit Center 5636 is at 8.293445 .735504 -.146984 ESP Fit Center 5637 is at 8.160878 1.128948 -.146984 ESP Fit Center 5638 is at 7.946832 1.484695 -.146984 ESP Fit Center 5639 is at 7.661315 1.786112 -.146984 ESP Fit Center 5640 is at 7.317678 2.019104 -.146984 ESP Fit Center 5641 is at 6.931988 2.172776 -.146984 ESP Fit Center 5642 is at 6.522280 2.239945 -.146984 ESP Fit Center 5643 is at 6.107712 2.217467 -.146984 ESP Fit Center 5644 is at 8.160878 -.483427 -.146984 ESP Fit Center 5645 is at 8.293445 -.089983 -.146984 ESP Fit Center 5646 is at 8.290195 .322761 -.574224 ESP Fit Center 5647 is at 8.243263 .739289 -.574224 ESP Fit Center 5648 is at 8.104822 1.134931 -.574224 ESP Fit Center 5649 is at 7.881814 1.489847 -.574224 ESP Fit Center 5650 is at 7.585420 1.786241 -.574224 ESP Fit Center 5651 is at 7.230504 2.009250 -.574224 ESP Fit Center 5652 is at 6.834862 2.147691 -.574224 ESP Fit Center 5653 is at 6.418333 2.194622 -.574224 ESP Fit Center 5654 is at 6.001805 2.147691 -.574224 ESP Fit Center 5655 is at 8.104822 -.489410 -.574224 ESP Fit Center 5656 is at 8.243263 -.093768 -.574224 ESP Fit Center 5657 is at 8.148194 .322761 -.980041 ESP Fit Center 5658 is at 8.097927 .736743 -.980041 ESP Fit Center 5659 is at 7.950049 1.126667 -.980041 ESP Fit Center 5660 is at 7.713152 1.469870 -.980041 ESP Fit Center 5661 is at 7.401006 1.746408 -.980041 ESP Fit Center 5662 is at 7.031750 1.940208 -.980041 ESP Fit Center 5663 is at 6.626845 2.040008 -.980041 ESP Fit Center 5664 is at 8.097927 -.091222 -.980041 ESP Fit Center 5665 is at 7.919450 .322761 -1.344085 ESP Fit Center 5666 is at 7.858644 .745674 -1.344085 ESP Fit Center 5667 is at 7.681153 1.134325 -1.344085 ESP Fit Center 5668 is at 7.401356 1.457229 -1.344085 ESP Fit Center 5669 is at 7.041920 1.688224 -1.344085 ESP Fit Center 5670 is at 6.631964 1.808598 -1.344085 ESP Fit Center 5671 is at 7.543240 .732193 -1.648101 ESP Fit Center 5672 is at 7.335365 1.092242 -1.648101 ESP Fit Center 5673 is at 7.016884 1.359480 -1.648101 ESP Fit Center 5674 is at 7.901500 -.678181 -1.518922 ESP Fit Center 5675 is at 7.856612 -.265438 -1.518922 ESP Fit Center 5676 is at 6.880844 -2.374524 -1.518922 ESP Fit Center 5677 is at 7.224482 -2.141532 -1.518922 ESP Fit Center 5678 is at 7.509999 -1.840116 -1.518922 ESP Fit Center 5679 is at 7.724045 -1.484368 -1.518922 ESP Fit Center 5680 is at 7.856612 -1.090925 -1.518922 ESP Fit Center 5681 is at 7.853362 -.678181 -1.946162 ESP Fit Center 5682 is at 7.806430 -.261653 -1.946162 ESP Fit Center 5683 is at 7.667989 .133989 -1.946162 ESP Fit Center 5684 is at 7.444980 .488905 -1.946162 ESP Fit Center 5685 is at 6.398029 -2.503111 -1.946162 ESP Fit Center 5686 is at 6.793670 -2.364670 -1.946162 ESP Fit Center 5687 is at 7.148587 -2.141662 -1.946162 ESP Fit Center 5688 is at 7.444980 -1.845268 -1.946162 ESP Fit Center 5689 is at 7.667989 -1.490352 -1.946162 ESP Fit Center 5690 is at 7.806430 -1.094710 -1.946162 ESP Fit Center 5691 is at 7.711360 -.678181 -2.351978 ESP Fit Center 5692 is at 7.661094 -.264199 -2.351978 ESP Fit Center 5693 is at 7.513215 .125725 -2.351978 ESP Fit Center 5694 is at 7.276319 .468928 -2.351978 ESP Fit Center 5695 is at 6.964173 .745466 -2.351978 ESP Fit Center 5696 is at 6.190012 -2.395429 -2.351978 ESP Fit Center 5697 is at 6.594917 -2.295629 -2.351978 ESP Fit Center 5698 is at 6.964173 -2.101828 -2.351978 ESP Fit Center 5699 is at 7.276319 -1.825291 -2.351978 ESP Fit Center 5700 is at 7.513215 -1.482087 -2.351978 ESP Fit Center 5701 is at 7.661094 -1.092164 -2.351978 ESP Fit Center 5702 is at 7.482617 -.678181 -2.716022 ESP Fit Center 5703 is at 7.421811 -.255268 -2.716022 ESP Fit Center 5704 is at 7.244320 .133383 -2.716022 ESP Fit Center 5705 is at 6.964522 .456287 -2.716022 ESP Fit Center 5706 is at 5.767869 -2.164019 -2.716022 ESP Fit Center 5707 is at 6.195131 -2.164019 -2.716022 ESP Fit Center 5708 is at 6.605086 -2.043645 -2.716022 ESP Fit Center 5709 is at 6.964522 -1.812649 -2.716022 ESP Fit Center 5710 is at 7.244320 -1.489746 -2.716022 ESP Fit Center 5711 is at 7.421811 -1.101095 -2.716022 ESP Fit Center 5712 is at 7.178601 -.678181 -3.020038 ESP Fit Center 5713 is at 7.106407 -.268749 -3.020038 ESP Fit Center 5714 is at 6.898532 .091300 -3.020038 ESP Fit Center 5715 is at 5.382950 -1.714901 -3.020038 ESP Fit Center 5716 is at 5.773626 -1.857095 -3.020038 ESP Fit Center 5717 is at 6.189374 -1.857095 -3.020038 ESP Fit Center 5718 is at 6.580050 -1.714901 -3.020038 ESP Fit Center 5719 is at 6.898532 -1.447663 -3.020038 ESP Fit Center 5720 is at 7.106407 -1.087614 -3.020038 ESP Fit Center 5721 is at 6.814557 -.678181 -3.248782 ESP Fit Center 5722 is at 5.564972 -1.399630 -3.248782 ESP Fit Center 5723 is at 5.981500 -1.511238 -3.248782 ESP Fit Center 5724 is at 6.398029 -1.399630 -3.248782 ESP Fit Center 5725 is at 6.702948 -1.094710 -3.248782 ESP Fit Center 5726 is at 6.195120 -1.048182 -3.390783 ESP Fit Center 5727 is at 6.978948 -1.924683 2.476702 ESP Fit Center 5728 is at 6.765328 -2.294684 2.476702 ESP Fit Center 5729 is at 7.384765 -1.924683 2.334700 ESP Fit Center 5730 is at 7.273157 -1.508155 2.334700 ESP Fit Center 5731 is at 6.551708 -2.757740 2.334700 ESP Fit Center 5732 is at 6.968237 -2.646131 2.334700 ESP Fit Center 5733 is at 7.273157 -2.341211 2.334700 ESP Fit Center 5734 is at 7.748809 -1.924683 2.105957 ESP Fit Center 5735 is at 7.676615 -1.515251 2.105957 ESP Fit Center 5736 is at 7.468740 -1.155202 2.105957 ESP Fit Center 5737 is at 6.759583 -3.103597 2.105957 ESP Fit Center 5738 is at 7.150258 -2.961402 2.105957 ESP Fit Center 5739 is at 7.468740 -2.694164 2.105957 ESP Fit Center 5740 is at 7.676615 -2.334115 2.105957 ESP Fit Center 5741 is at 8.052825 -1.924683 1.801941 ESP Fit Center 5742 is at 7.992019 -1.501770 1.801941 ESP Fit Center 5743 is at 7.814528 -1.113118 1.801941 ESP Fit Center 5744 is at 7.534730 -.790215 1.801941 ESP Fit Center 5745 is at 7.175295 -3.290147 1.801941 ESP Fit Center 5746 is at 7.534730 -3.059151 1.801941 ESP Fit Center 5747 is at 7.814528 -2.736248 1.801941 ESP Fit Center 5748 is at 7.992019 -2.347596 1.801941 ESP Fit Center 5749 is at 8.281568 -1.924683 1.437897 ESP Fit Center 5750 is at 8.231302 -1.510700 1.437897 ESP Fit Center 5751 is at 8.083423 -1.120777 1.437897 ESP Fit Center 5752 is at 7.846527 -.777574 1.437897 ESP Fit Center 5753 is at 7.534381 -.501036 1.437897 ESP Fit Center 5754 is at 7.165125 -3.542130 1.437897 ESP Fit Center 5755 is at 7.534381 -3.348330 1.437897 ESP Fit Center 5756 is at 7.846527 -3.071793 1.437897 ESP Fit Center 5757 is at 8.083423 -2.728589 1.437897 ESP Fit Center 5758 is at 8.231302 -2.338666 1.437897 ESP Fit Center 5759 is at 8.423570 -1.924683 1.032080 ESP Fit Center 5760 is at 8.376638 -1.508155 1.032080 ESP Fit Center 5761 is at 8.238197 -1.112513 1.032080 ESP Fit Center 5762 is at 8.015189 -.757596 1.032080 ESP Fit Center 5763 is at 7.718795 -.461203 1.032080 ESP Fit Center 5764 is at 7.363879 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8.238197 -2.736853 .177600 ESP Fit Center 5784 is at 8.376638 -2.341211 .177600 ESP Fit Center 5785 is at 8.281568 -1.924683 -.228217 ESP Fit Center 5786 is at 8.231302 -1.510700 -.228217 ESP Fit Center 5787 is at 8.083423 -1.120777 -.228217 ESP Fit Center 5788 is at 7.534381 -3.348330 -.228217 ESP Fit Center 5789 is at 7.846527 -3.071793 -.228217 ESP Fit Center 5790 is at 8.083423 -2.728589 -.228217 ESP Fit Center 5791 is at 8.231302 -2.338666 -.228217 ESP Fit Center 5792 is at 8.052825 -1.924683 -.592260 ESP Fit Center 5793 is at 7.992019 -1.501770 -.592260 ESP Fit Center 5794 is at 7.534730 -3.059151 -.592260 ESP Fit Center 5795 is at 7.814528 -2.736248 -.592260 ESP Fit Center 5796 is at 7.992019 -2.347596 -.592260 ESP Fit Center 5797 is at 7.748809 -1.924683 -.896276 ESP Fit Center 5798 is at 7.150258 -2.961402 -.896276 ESP Fit Center 5799 is at 7.468740 -2.694164 -.896276 ESP Fit Center 5800 is at 7.676615 -2.334115 -.896276 ESP Fit Center 5801 is at 7.273157 -2.341211 -1.125020 ESP Fit Center 5802 is at 2.914155 -3.610199 -1.553816 ESP Fit Center 5803 is at 3.137164 -3.965115 -1.553816 ESP Fit Center 5804 is at 3.433557 -4.261509 -1.553816 ESP Fit Center 5805 is at 3.788474 -4.484517 -1.553816 ESP Fit Center 5806 is at 4.184115 -4.622958 -1.553816 ESP Fit Center 5807 is at 4.600644 -4.669890 -1.553816 ESP Fit Center 5808 is at 6.330504 -2.798028 -1.959632 ESP Fit Center 5809 is at 2.921050 -3.212011 -1.959632 ESP Fit Center 5810 is at 3.068929 -3.601934 -1.959632 ESP Fit Center 5811 is at 3.305825 -3.945138 -1.959632 ESP Fit Center 5812 is at 3.617971 -4.221675 -1.959632 ESP Fit Center 5813 is at 3.987227 -4.415476 -1.959632 ESP Fit Center 5814 is at 4.392132 -4.515276 -1.959632 ESP Fit Center 5815 is at 4.809155 -4.515276 -1.959632 ESP Fit Center 5816 is at 5.214061 -4.415476 -1.959632 ESP Fit Center 5817 is at 5.583316 -4.221675 -1.959632 ESP Fit Center 5818 is at 5.895463 -3.945138 -1.959632 ESP Fit Center 5819 is at 6.132359 -3.601934 -1.959632 ESP Fit Center 5820 is at 6.280237 -3.212011 -1.959632 ESP Fit Center 5821 is at 6.101760 -2.798028 -2.323676 ESP Fit Center 5822 is at 3.099527 -2.798028 -2.323676 ESP Fit Center 5823 is at 3.160333 -3.220942 -2.323676 ESP Fit Center 5824 is at 3.337824 -3.609593 -2.323676 ESP Fit Center 5825 is at 3.617622 -3.932496 -2.323676 ESP Fit Center 5826 is at 3.977058 -4.163492 -2.323676 ESP Fit Center 5827 is at 4.387013 -4.283865 -2.323676 ESP Fit Center 5828 is at 4.814275 -4.283865 -2.323676 ESP Fit Center 5829 is at 5.224230 -4.163492 -2.323676 ESP Fit Center 5830 is at 5.583666 -3.932496 -2.323676 ESP Fit Center 5831 is at 5.863463 -3.609593 -2.323676 ESP Fit Center 5832 is at 6.040955 -3.220942 -2.323676 ESP Fit Center 5833 is at 5.797744 -2.798028 -2.627692 ESP Fit Center 5834 is at 5.725550 -2.388596 -2.627692 ESP Fit Center 5835 is at 3.475737 -2.388596 -2.627692 ESP Fit Center 5836 is at 3.403543 -2.798028 -2.627692 ESP Fit Center 5837 is at 3.475737 -3.207461 -2.627692 ESP Fit Center 5838 is at 3.683612 -3.567510 -2.627692 ESP Fit Center 5839 is at 4.002094 -3.834748 -2.627692 ESP Fit Center 5840 is at 4.392770 -3.976942 -2.627692 ESP Fit Center 5841 is at 4.808518 -3.976942 -2.627692 ESP Fit Center 5842 is at 5.199194 -3.834748 -2.627692 ESP Fit Center 5843 is at 5.517676 -3.567510 -2.627692 ESP Fit Center 5844 is at 5.725550 -3.207461 -2.627692 ESP Fit Center 5845 is at 5.433701 -2.798028 -2.856436 ESP Fit Center 5846 is at 5.322092 -2.381500 -2.856436 ESP Fit Center 5847 is at 5.017172 -2.076580 -2.856436 ESP Fit Center 5848 is at 4.600644 -1.964971 -2.856436 ESP Fit Center 5849 is at 4.184115 -2.076580 -2.856436 ESP Fit Center 5850 is at 3.879196 -2.381500 -2.856436 ESP Fit Center 5851 is at 3.767587 -2.798028 -2.856436 ESP Fit Center 5852 is at 3.879196 -3.214557 -2.856436 ESP Fit Center 5853 is at 4.184115 -3.519477 -2.856436 ESP Fit Center 5854 is at 4.600644 -3.631085 -2.856436 ESP Fit Center 5855 is at 5.017172 -3.519477 -2.856436 ESP Fit Center 5856 is at 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4.369924 ESP Fit Center 5875 is at 3.027246 -2.812554 4.369924 ESP Fit Center 5876 is at 3.332166 -3.117474 4.369924 ESP Fit Center 5877 is at 3.748694 -3.229082 4.369924 ESP Fit Center 5878 is at 4.165223 -3.117474 4.369924 ESP Fit Center 5879 is at 4.470143 -2.812554 4.369924 ESP Fit Center 5880 is at 4.945795 -2.396025 4.141180 ESP Fit Center 5881 is at 4.873601 -1.986593 4.141180 ESP Fit Center 5882 is at 4.665726 -1.626544 4.141180 ESP Fit Center 5883 is at 2.831662 -3.165507 4.141180 ESP Fit Center 5884 is at 3.150144 -3.432745 4.141180 ESP Fit Center 5885 is at 3.540820 -3.574939 4.141180 ESP Fit Center 5886 is at 3.956569 -3.574939 4.141180 ESP Fit Center 5887 is at 4.347244 -3.432745 4.141180 ESP Fit Center 5888 is at 4.665726 -3.165507 4.141180 ESP Fit Center 5889 is at 4.873601 -2.805458 4.141180 ESP Fit Center 5890 is at 5.249811 -2.396025 3.837164 ESP Fit Center 5891 is at 5.189005 -1.973112 3.837164 ESP Fit Center 5892 is at 2.765672 -3.530493 3.837164 ESP Fit Center 5893 is at 3.125108 -3.761489 3.837164 ESP Fit Center 5894 is at 3.535063 -3.881863 3.837164 ESP Fit Center 5895 is at 3.962325 -3.881863 3.837164 ESP Fit Center 5896 is at 4.372281 -3.761489 3.837164 ESP Fit Center 5897 is at 4.731716 -3.530493 3.837164 ESP Fit Center 5898 is at 5.011514 -3.207590 3.837164 ESP Fit Center 5899 is at 5.189005 -2.818939 3.837164 ESP Fit Center 5900 is at 5.478554 -2.396025 3.473120 ESP Fit Center 5901 is at 2.766022 -3.819672 3.473120 ESP Fit Center 5902 is at 3.135277 -4.013473 3.473120 ESP Fit Center 5903 is at 3.540183 -4.113273 3.473120 ESP Fit Center 5904 is at 3.957206 -4.113273 3.473120 ESP Fit Center 5905 is at 4.362111 -4.013473 3.473120 ESP Fit Center 5906 is at 4.731367 -3.819672 3.473120 ESP Fit Center 5907 is at 5.043513 -3.543135 3.473120 ESP Fit Center 5908 is at 5.280409 -3.199931 3.473120 ESP Fit Center 5909 is at 5.428288 -2.810008 3.473120 ESP Fit Center 5910 is at 2.581608 -3.859506 3.067304 ESP Fit Center 5911 is at 2.936524 -4.082514 3.067304 ESP Fit Center 5912 is at 3.332166 -4.220955 3.067304 ESP Fit Center 5913 is at 3.748694 -4.267887 3.067304 ESP Fit Center 5914 is at 4.165223 -4.220955 3.067304 ESP Fit Center 5915 is at 4.560865 -4.082514 3.067304 ESP Fit Center 5916 is at 4.915781 -3.859506 3.067304 ESP Fit Center 5917 is at 5.212175 -3.563112 3.067304 ESP Fit Center 5918 is at 5.435183 -3.208196 3.067304 ESP Fit Center 5919 is at 5.573624 -2.812554 3.067304 ESP Fit Center 5920 is at 3.038029 -4.179661 2.640064 ESP Fit Center 5921 is at 3.438073 -4.290732 2.640064 ESP Fit Center 5922 is at 3.852641 -4.313209 2.640064 ESP Fit Center 5923 is at 1.376975 -2.413336 4.958544 ESP Fit Center 5924 is at 1.804215 -2.413336 4.958544 ESP Fit Center 5925 is at .869147 -2.459863 4.816542 ESP Fit Center 5926 is at 1.174067 -2.764783 4.816542 ESP Fit Center 5927 is at 1.590595 -2.876392 4.816542 ESP Fit Center 5928 is at 2.007124 -2.764783 4.816542 ESP Fit Center 5929 is at 2.312043 -2.459863 4.816542 ESP Fit Center 5930 is at .465689 -2.452767 4.587798 ESP Fit Center 5931 is at .673563 -2.812816 4.587798 ESP Fit Center 5932 is at .992045 -3.080054 4.587798 ESP Fit Center 5933 is at 1.382721 -3.222249 4.587798 ESP Fit Center 5934 is at 1.798469 -3.222249 4.587798 ESP Fit Center 5935 is at 2.189145 -3.080054 4.587798 ESP Fit Center 5936 is at 2.507627 -2.812816 4.587798 ESP Fit Center 5937 is at 2.715502 -2.452767 4.587798 ESP Fit Center 5938 is at .150284 -2.466248 4.283782 ESP Fit Center 5939 is at .327776 -2.854900 4.283782 ESP Fit Center 5940 is at .607573 -3.177803 4.283782 ESP Fit Center 5941 is at .967009 -3.408798 4.283782 ESP Fit Center 5942 is at 1.376964 -3.529172 4.283782 ESP Fit Center 5943 is at 1.804226 -3.529172 4.283782 ESP Fit Center 5944 is at 2.214181 -3.408798 4.283782 ESP Fit Center 5945 is at 2.573617 -3.177803 4.283782 ESP Fit Center 5946 is at 2.853415 -2.854900 4.283782 ESP Fit Center 5947 is at -.088998 -2.457317 3.919739 ESP Fit Center 5948 is at .058880 -2.847241 3.919739 ESP Fit Center 5949 is at .295776 -3.190444 3.919739 ESP Fit Center 5950 is at .607923 -3.466982 3.919739 ESP Fit Center 5951 is at .977178 -3.660782 3.919739 ESP Fit Center 5952 is at 1.382084 -3.760582 3.919739 ESP Fit Center 5953 is at 1.799107 -3.760582 3.919739 ESP Fit Center 5954 is at 2.204012 -3.660782 3.919739 ESP Fit Center 5955 is at 2.573268 -3.466982 3.919739 ESP Fit Center 5956 is at -.234335 -2.459863 3.513922 ESP Fit Center 5957 is at -.095894 -2.855505 3.513922 ESP Fit Center 5958 is at .127115 -3.210421 3.513922 ESP Fit Center 5959 is at .423509 -3.506815 3.513922 ESP Fit Center 5960 is at .778425 -3.729824 3.513922 ESP Fit Center 5961 is at 1.174067 -3.868265 3.513922 ESP Fit Center 5962 is at 1.590595 -3.915196 3.513922 ESP Fit Center 5963 is at 2.007124 -3.868265 3.513922 ESP Fit Center 5964 is at 2.402765 -3.729824 3.513922 ESP Fit Center 5965 is at -.228899 -2.656394 3.086682 ESP Fit Center 5966 is at -.054571 -3.033198 3.086682 ESP Fit Center 5967 is at .196684 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is at .298958 -.430926 5.729108 ESP Fit Center 5987 is at .085338 -.060925 5.729108 ESP Fit Center 5988 is at -.341902 -.060925 5.729108 ESP Fit Center 5989 is at -.555522 -.430926 5.729108 ESP Fit Center 5990 is at -.341902 -.800927 5.729108 ESP Fit Center 5991 is at .085338 -.800927 5.729108 ESP Fit Center 5992 is at -.128282 .402131 5.587107 ESP Fit Center 5993 is at -.544810 .290523 5.587107 ESP Fit Center 5994 is at -.849730 -.014397 5.587107 ESP Fit Center 5995 is at -.961339 -.430926 5.587107 ESP Fit Center 5996 is at -.849730 -.847454 5.587107 ESP Fit Center 5997 is at -.544810 -1.152374 5.587107 ESP Fit Center 5998 is at -.128282 -1.263982 5.587107 ESP Fit Center 5999 is at .288246 -1.152374 5.587107 ESP Fit Center 6000 is at -.336156 .747988 5.358363 ESP Fit Center 6001 is at -.726832 .605794 5.358363 ESP Fit Center 6002 is at -1.045314 .338556 5.358363 ESP Fit Center 6003 is at -1.253188 -.021493 5.358363 ESP Fit Center 6004 is at -1.325382 -.430926 5.358363 ESP Fit Center 6005 is at -1.253188 -.840358 5.358363 ESP Fit Center 6006 is at -1.045314 -1.200407 5.358363 ESP Fit Center 6007 is at -.726832 -1.467645 5.358363 ESP Fit Center 6008 is at -.336156 -1.609839 5.358363 ESP Fit Center 6009 is at .079592 -1.609839 5.358363 ESP Fit Center 6010 is at .470268 -1.467645 5.358363 ESP Fit Center 6011 is at -.751868 .934538 5.054347 ESP Fit Center 6012 is at -1.111304 .703542 5.054347 ESP Fit Center 6013 is at -1.391101 .380639 5.054347 ESP Fit Center 6014 is at -1.568593 -.008012 5.054347 ESP Fit Center 6015 is at -1.629398 -.430926 5.054347 ESP Fit Center 6016 is at -1.568593 -.853839 5.054347 ESP Fit Center 6017 is at -1.391101 -1.242491 5.054347 ESP Fit Center 6018 is at -1.111304 -1.565394 5.054347 ESP Fit Center 6019 is at -.751868 -1.796389 5.054347 ESP Fit Center 6020 is at -.341913 -1.916763 5.054347 ESP Fit Center 6021 is at .085349 -1.916763 5.054347 ESP Fit Center 6022 is at .495304 -1.796389 5.054347 ESP Fit Center 6023 is at -1.110955 .992721 4.690303 ESP Fit Center 6024 is at -1.423101 .716184 4.690303 ESP Fit Center 6025 is at -1.659997 .372980 4.690303 ESP Fit Center 6026 is at -1.807876 -.016943 4.690303 ESP Fit Center 6027 is at -1.858142 -.430926 4.690303 ESP Fit Center 6028 is at -1.807876 -.844908 4.690303 ESP Fit Center 6029 is at -1.659997 -1.234832 4.690303 ESP Fit Center 6030 is at -1.423101 -1.578035 4.690303 ESP Fit Center 6031 is at -1.110955 -1.854573 4.690303 ESP Fit Center 6032 is at -.741699 -2.048373 4.690303 ESP Fit Center 6033 is at -.336794 -2.148173 4.690303 ESP Fit Center 6034 is at .080230 -2.148173 4.690303 ESP Fit Center 6035 is at -1.295369 1.032555 4.284487 ESP Fit Center 6036 is at -1.591762 .736161 4.284487 ESP Fit Center 6037 is at -1.814771 .381245 4.284487 ESP Fit Center 6038 is at -1.953212 -.014397 4.284487 ESP Fit Center 6039 is at -2.000144 -.430926 4.284487 ESP Fit Center 6040 is at -1.953212 -.847454 4.284487 ESP Fit Center 6041 is at -1.814771 -1.243096 4.284487 ESP Fit Center 6042 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is at 6.552098 -5.965839 -.306195 ESP Fit Center 6324 is at 6.907015 -5.742830 -.306195 ESP Fit Center 6325 is at 7.203408 -5.446436 -.306195 ESP Fit Center 6326 is at 7.426417 -5.091520 -.306195 ESP Fit Center 6327 is at 7.564858 -4.695878 -.306195 ESP Fit Center 6328 is at 7.469788 -4.279350 -.712012 ESP Fit Center 6329 is at 7.419522 -3.865367 -.712012 ESP Fit Center 6330 is at 7.271643 -3.475443 -.712012 ESP Fit Center 6331 is at 5.126511 -5.896797 -.712012 ESP Fit Center 6332 is at 5.531416 -5.996597 -.712012 ESP Fit Center 6333 is at 5.948440 -5.996597 -.712012 ESP Fit Center 6334 is at 6.353345 -5.896797 -.712012 ESP Fit Center 6335 is at 6.722601 -5.702997 -.712012 ESP Fit Center 6336 is at 7.034747 -5.426459 -.712012 ESP Fit Center 6337 is at 7.271643 -5.083256 -.712012 ESP Fit Center 6338 is at 7.419522 -4.693332 -.712012 ESP Fit Center 6339 is at 7.241044 -4.279350 -1.076055 ESP Fit Center 6340 is at 7.180239 -3.856436 -1.076055 ESP Fit Center 6341 is at 7.002748 -3.467785 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Fit Center 7256 is at 3.363338 -.626447 -4.778683 ESP Fit Center 7257 is at 3.567319 2.159410 -4.966131 ESP Fit Center 7258 is at 3.162677 2.012132 -4.966131 ESP Fit Center 7259 is at 2.832810 1.735341 -4.966131 ESP Fit Center 7260 is at 2.617505 1.362421 -4.966131 ESP Fit Center 7261 is at 2.542730 .938352 -4.966131 ESP Fit Center 7262 is at 2.617505 .514284 -4.966131 ESP Fit Center 7263 is at 2.832810 .141364 -4.966131 ESP Fit Center 7264 is at 3.162677 -.135428 -4.966131 ESP Fit Center 7265 is at 3.363338 1.664579 -5.102361 ESP Fit Center 7266 is at 3.056398 1.357639 -5.102361 ESP Fit Center 7267 is at 2.944051 .938352 -5.102361 ESP Fit Center 7268 is at 3.056398 .519066 -5.102361 ESP Fit Center 7269 is at 3.363338 .212126 -5.102361 ESP Fit Center 7270 is at 3.359720 .938352 -5.185042 ESP Fit Center 7271 is at 5.470525 2.378732 .419442 ESP Fit Center 7272 is at 8.297349 -.771025 -.114498 ESP Fit Center 7273 is at 8.237593 -1.168497 -.536871 ESP Fit Center 7274 is at 8.331780 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Center 7293 is at 6.783759 -3.105457 -1.636030 ESP Fit Center 7294 is at 4.474295 -1.235788 4.422821 ESP Fit Center 7295 is at 4.977504 -1.652961 4.260686 ESP Fit Center 7296 is at 4.903581 -1.233721 4.260686 ESP Fit Center 7297 is at 4.690728 -.865048 4.260686 ESP Fit Center 7298 is at 3.640206 -.585868 4.880638 ESP Fit Center 7299 is at 3.528425 -.168695 4.880638 ESP Fit Center 7300 is at 3.223033 .136697 4.880638 ESP Fit Center 7301 is at 4.031635 -.585868 4.718503 ESP Fit Center 7302 is at 3.957711 -.166628 4.718503 ESP Fit Center 7303 is at 3.744858 .202045 4.718503 ESP Fit Center 7304 is at 3.418747 .475684 4.718503 ESP Fit Center 7305 is at 3.744858 -1.373781 4.718503 ESP Fit Center 7306 is at 3.957711 -1.005107 4.718503 ESP Fit Center 7307 is at 4.392880 -.585868 4.497131 ESP Fit Center 7308 is at 4.338804 -.175117 4.497131 ESP Fit Center 7309 is at 4.180260 .207642 4.497131 ESP Fit Center 7310 is at 4.338804 -.996619 4.497131 ESP Fit Center 7311 is at 4.715049 -.585868 4.221974 ESP Fit Center 7312 is at 4.667181 -.161034 4.221974 ESP Fit Center 7313 is at 4.525979 .242498 4.221974 ESP Fit Center 7314 is at 2.113961 -.987655 5.606876 ESP Fit Center 7315 is at 1.902774 -1.353440 5.606876 ESP Fit Center 7316 is at 2.525933 -.987655 5.507970 ESP Fit Center 7317 is at 2.414152 -.570482 5.507970 ESP Fit Center 7318 is at 1.274415 -1.710219 5.507970 ESP Fit Center 7319 is at 1.691587 -1.822000 5.507970 ESP Fit Center 7320 is at 2.108760 -1.710219 5.507970 ESP Fit Center 7321 is at 2.414152 -1.404828 5.507970 ESP Fit Center 7322 is at 2.917362 -.987655 5.345835 ESP Fit Center 7323 is at 2.843439 -.568415 5.345835 ESP Fit Center 7324 is at 2.630585 -.199742 5.345835 ESP Fit Center 7325 is at 1.078700 -2.049206 5.345835 ESP Fit Center 7326 is at 1.478734 -2.194807 5.345835 ESP Fit Center 7327 is at 1.904441 -2.194807 5.345835 ESP Fit Center 7328 is at 2.304475 -2.049206 5.345835 ESP Fit Center 7329 is at 2.630585 -1.775567 5.345835 ESP Fit Center 7330 is at 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Fit Center 7349 is at -.151299 -2.534020 1.714343 ESP Fit Center 7350 is at -.404277 -1.603056 1.353098 ESP Fit Center 7351 is at -.249937 -1.988580 1.353098 ESP Fit Center 7352 is at -.025424 -2.337928 1.353098 ESP Fit Center 7353 is at .753235 -.087161 6.052909 ESP Fit Center 7354 is at 1.175608 -.087161 6.019667 ESP Fit Center 7355 is at .964421 .278625 6.019667 ESP Fit Center 7356 is at .542048 .278625 6.019667 ESP Fit Center 7357 is at .330862 -.087161 6.019667 ESP Fit Center 7358 is at .542048 -.452946 6.019667 ESP Fit Center 7359 is at .964421 -.452946 6.019667 ESP Fit Center 7360 is at 1.587581 -.087161 5.920761 ESP Fit Center 7361 is at 1.475799 .330012 5.920761 ESP Fit Center 7362 is at 1.170408 .635404 5.920761 ESP Fit Center 7363 is at .753235 .747185 5.920761 ESP Fit Center 7364 is at .336062 .635404 5.920761 ESP Fit Center 7365 is at .030670 .330012 5.920761 ESP Fit Center 7366 is at .753235 -.921507 5.920761 ESP Fit Center 7367 is at 1.170408 -.809725 5.920761 ESP Fit Center 7368 is at 1.475799 -.504334 5.920761 ESP Fit Center 7369 is at 1.979009 -.087161 5.758626 ESP Fit Center 7370 is at 1.905086 .332079 5.758626 ESP Fit Center 7371 is at 1.692232 .700752 5.758626 ESP Fit Center 7372 is at 1.366122 .974391 5.758626 ESP Fit Center 7373 is at .540381 1.119991 5.758626 ESP Fit Center 7374 is at .140348 .974391 5.758626 ESP Fit Center 7375 is at -.185763 .700752 5.758626 ESP Fit Center 7376 is at .540381 -1.294313 5.758626 ESP Fit Center 7377 is at .966088 -1.294313 5.758626 ESP Fit Center 7378 is at 1.366122 -1.148712 5.758626 ESP Fit Center 7379 is at 1.692232 -.875073 5.758626 ESP Fit Center 7380 is at 1.905086 -.506400 5.758626 ESP Fit Center 7381 is at 2.340255 -.087161 5.537255 ESP Fit Center 7382 is at 2.286179 .323590 5.537255 ESP Fit Center 7383 is at 2.127635 .706349 5.537255 ESP Fit Center 7384 is at -.368958 1.035032 5.537255 ESP Fit Center 7385 is at .753235 -1.674181 5.537255 ESP Fit Center 7386 is at 1.163986 -1.620104 5.537255 ESP Fit Center 7387 is at 2.286179 -.497912 5.537255 ESP Fit Center 7388 is at 2.614556 .337674 5.262097 ESP Fit Center 7389 is at -.739429 1.103199 5.262097 ESP Fit Center 7390 is at -1.751022 .922145 3.352909 ESP Fit Center 7391 is at -1.783003 .736913 2.930536 ESP Fit Center 7392 is at -1.675484 .746620 2.518563 ESP Fit Center 7393 is at -1.779596 .335494 2.518563 ESP Fit Center 7394 is at -1.814618 -.087161 2.518563 ESP Fit Center 7395 is at -.985924 -1.976391 2.518563 ESP Fit Center 7396 is at -1.615935 -.504909 2.127134 ESP Fit Center 7397 is at -1.507400 -.909965 2.127134 ESP Fit Center 7398 is at -1.330178 -1.290019 2.127134 ESP Fit Center 7399 is at -1.089652 -1.633526 2.127134 ESP Fit Center 7400 is at -.793131 -1.930047 2.127134 ESP Fit Center 7401 is at -1.188289 -1.088086 1.765888 ESP Fit Center 7402 is at -.963777 -1.437434 1.765888 ESP Fit Center 7403 is at -.677208 -1.737979 1.765888 ESP Fit Center 7404 is at -.739429 -1.277520 1.443720 ESP Fit Center 7405 is at .965609 1.261849 5.793107 ESP Fit Center 7406 is at 1.387982 1.261849 5.759866 ESP Fit Center 7407 is at 1.176795 1.627635 5.759866 ESP Fit Center 7408 is at .754422 1.627635 5.759866 ESP Fit Center 7409 is at .543236 1.261849 5.759866 ESP Fit Center 7410 is at 1.799955 1.261849 5.660960 ESP Fit Center 7411 is at 1.688174 1.679022 5.660960 ESP Fit Center 7412 is at 1.382782 1.984414 5.660960 ESP Fit Center 7413 is at .965609 2.096195 5.660960 ESP Fit Center 7414 is at .548436 1.984414 5.660960 ESP Fit Center 7415 is at .243044 1.679022 5.660960 ESP Fit Center 7416 is at .131263 1.261849 5.660960 ESP Fit Center 7417 is at 2.191383 1.261849 5.498825 ESP Fit Center 7418 is at 2.117460 1.681089 5.498825 ESP Fit Center 7419 is at 1.904607 2.049762 5.498825 ESP Fit Center 7420 is at 1.578496 2.323401 5.498825 ESP Fit Center 7421 is at 1.178462 2.469002 5.498825 ESP Fit Center 7422 is at .752755 2.469002 5.498825 ESP Fit Center 7423 is at -.186242 1.681089 5.498825 ESP Fit Center 7424 is at -.260165 1.261849 5.498825 ESP Fit Center 7425 is at 2.117460 .842610 5.498825 ESP Fit Center 7426 is at 2.552629 1.261849 5.277453 ESP Fit Center 7427 is at 2.498553 1.672600 5.277453 ESP Fit Center 7428 is at 2.340009 2.055360 5.277453 ESP Fit Center 7429 is at 2.087802 2.384042 5.277453 ESP Fit Center 7430 is at 1.759119 2.636249 5.277453 ESP Fit Center 7431 is at 1.376360 2.794793 5.277453 ESP Fit Center 7432 is at .965609 2.848870 5.277453 ESP Fit Center 7433 is at -.621411 1.261849 5.277453 ESP Fit Center 7434 is at 2.498553 .851098 5.277453 ESP Fit Center 7435 is at 2.874797 1.261849 5.002296 ESP Fit Center 7436 is at 2.826930 1.686684 5.002296 ESP Fit Center 7437 is at 2.685728 2.090215 5.002296 ESP Fit Center 7438 is at 2.458272 2.452209 5.002296 ESP Fit Center 7439 is at 2.826930 .837015 5.002296 ESP Fit Center 7440 is at -1.726469 1.055166 3.093107 ESP Fit Center 7441 is at -1.701150 1.261849 2.670734 ESP Fit Center 7442 is at 2.923351 1.658022 4.964084 ESP Fit Center 7443 is at 2.811570 2.075195 4.964084 ESP Fit Center 7444 is at 3.314780 1.658022 4.801949 ESP Fit Center 7445 is at 3.240857 2.077262 4.801949 ESP Fit Center 7446 is at 3.028003 2.445935 4.801949 ESP Fit Center 7447 is at 3.028003 .870110 4.801949 ESP Fit Center 7448 is at 3.240857 1.238783 4.801949 ESP Fit Center 7449 is at 3.676026 1.658022 4.580577 ESP Fit Center 7450 is at 3.621949 2.068773 4.580577 ESP Fit Center 7451 is at 3.463405 2.451532 4.580577 ESP Fit Center 7452 is at 3.621949 1.247271 4.580577 ESP Fit Center 7453 is at 3.950326 2.082857 4.305420 ESP Fit Center 7454 is at 3.809125 2.486388 4.305420 ESP Fit Center 7455 is at 4.233877 2.071413 3.983252 ESP Fit Center 7456 is at 4.116882 2.469862 3.983252 ESP Fit Center 7457 is at 3.434130 2.705863 4.513700 ESP Fit Center 7458 is at 3.869299 3.125103 4.292328 ESP Fit Center 7459 is at 3.815223 2.714352 4.292328 ESP Fit Center 7460 is at 4.191467 3.125103 4.017171 ESP Fit Center 7461 is at 4.143600 3.549937 4.017171 ESP Fit Center 7462 is at 4.143600 2.700268 4.017171 ESP Fit Center 7463 is at 4.466625 3.125103 3.695003 ESP Fit Center 7464 is at 4.427151 3.538493 3.695003 ESP Fit Center 7465 is at 4.310156 3.936942 3.695003 ESP Fit Center 7466 is at 4.427151 2.711712 3.695003 ESP Fit Center 7467 is at 4.687997 3.125103 3.333757 ESP Fit Center 7468 is at 4.651448 3.542851 3.333757 ESP Fit Center 7469 is at 4.542914 3.947907 3.333757 ESP Fit Center 7470 is at 4.365691 4.327961 3.333757 ESP Fit Center 7471 is at 4.651448 2.707354 3.333757 ESP Fit Center 7472 is at 4.850132 3.125103 2.942328 ESP Fit Center 7473 is at 4.815109 3.547757 2.942328 ESP Fit Center 7474 is at 4.710998 3.958883 2.942328 ESP Fit Center 7475 is at 4.540638 4.347265 2.942328 ESP Fit Center 7476 is at 4.308675 4.702310 2.942328 ESP Fit Center 7477 is at 4.815109 2.702448 2.942328 ESP Fit Center 7478 is at .439392 4.671468 .882208 ESP Fit Center 7479 is at .198866 4.327961 .882208 ESP Fit Center 7480 is at .340755 4.126028 .520962 ESP Fit Center 7481 is at 4.779075 3.856047 2.885339 ESP Fit Center 7482 is at 4.637873 4.259578 2.885339 ESP Fit Center 7483 is at 4.410417 4.621572 2.885339 ESP Fit Center 7484 is at 5.102100 3.431212 2.563171 ESP Fit Center 7485 is at 5.062626 3.844603 2.563171 ESP Fit Center 7486 is at 4.945630 4.243052 2.563171 ESP Fit Center 7487 is at 4.755342 4.612159 2.563171 ESP Fit Center 7488 is at 4.498639 4.938584 2.563171 ESP Fit Center 7489 is at 4.184799 5.210528 2.563171 ESP Fit Center 7490 is at 4.945630 2.619373 2.563171 ESP Fit Center 7491 is at 5.062626 3.017822 2.563171 ESP Fit Center 7492 is at 5.323471 3.431212 2.201925 ESP Fit Center 7493 is at 5.286923 3.848961 2.201925 ESP Fit Center 7494 is at 5.178389 4.254016 2.201925 ESP Fit Center 7495 is at 5.001166 4.634071 2.201925 ESP Fit Center 7496 is at 4.760640 4.977578 2.201925 ESP Fit Center 7497 is at 4.464119 5.274099 2.201925 ESP Fit Center 7498 is at 5.178389 2.608409 2.201925 ESP Fit Center 7499 is at 5.286923 3.013464 2.201925 ESP Fit Center 7500 is at 5.485606 3.431212 1.810497 ESP Fit Center 7501 is at 5.450584 3.853867 1.810497 ESP Fit Center 7502 is at 5.346473 4.264993 1.810497 ESP Fit Center 7503 is at 5.176113 4.653375 1.810497 ESP Fit Center 7504 is at 4.944150 5.008420 1.810497 ESP Fit Center 7505 is at 4.656913 5.320443 1.810497 ESP Fit Center 7506 is at 5.346473 2.597432 1.810497 ESP Fit Center 7507 is at 5.450584 3.008558 1.810497 ESP Fit Center 7508 is at 5.584512 3.431212 1.398524 ESP Fit Center 7509 is at 5.551680 3.848385 1.398524 ESP Fit Center 7510 is at 5.453992 4.255286 1.398524 ESP Fit Center 7511 is at 5.293853 4.641895 1.398524 ESP Fit Center 7512 is at 5.075207 4.998694 1.398524 ESP Fit Center 7513 is at 5.453992 2.607139 1.398524 ESP Fit Center 7514 is at 5.551680 3.014039 1.398524 ESP Fit Center 7515 is at 5.617754 3.431212 .976151 ESP Fit Center 7516 is at 5.586111 3.843365 .976151 ESP Fit Center 7517 is at 5.491924 4.245858 .976151 ESP Fit Center 7518 is at 5.337401 4.629256 .976151 ESP Fit Center 7519 is at 5.126163 4.984573 .976151 ESP Fit Center 7520 is at 5.491924 2.616567 .976151 ESP Fit Center 7521 is at 5.586111 3.019059 .976151 ESP Fit Center 7522 is at 5.584512 3.431212 .553778 ESP Fit Center 7523 is at 5.551680 3.848385 .553778 ESP Fit Center 7524 is at 5.453992 4.255286 .553778 ESP Fit Center 7525 is at 5.293853 4.641895 .553778 ESP Fit Center 7526 is at 5.075207 4.998694 .553778 ESP Fit Center 7527 is at 1.032071 5.316895 .553778 ESP Fit Center 7528 is at .760301 4.998694 .553778 ESP Fit Center 7529 is at .541655 4.641895 .553778 ESP Fit Center 7530 is at .381516 4.255286 .553778 ESP Fit Center 7531 is at 5.453992 2.607139 .553778 ESP Fit Center 7532 is at 5.551680 3.014039 .553778 ESP Fit Center 7533 is at 5.485606 3.431212 .141805 ESP Fit Center 7534 is at 5.450584 3.853867 .141805 ESP Fit Center 7535 is at 5.346473 4.264993 .141805 ESP Fit Center 7536 is at 5.176113 4.653375 .141805 ESP Fit Center 7537 is at .891357 5.008420 .141805 ESP Fit Center 7538 is at .659395 4.653375 .141805 ESP Fit Center 7539 is at .489035 4.264993 .141805 ESP Fit Center 7540 is at 5.450584 3.008558 .141805 ESP Fit Center 7541 is at 5.323471 3.431212 -.249624 ESP Fit Center 7542 is at 5.286923 3.848961 -.249624 ESP Fit Center 7543 is at 5.178389 4.254016 -.249624 ESP Fit Center 7544 is at 5.001166 4.634071 -.249624 ESP Fit Center 7545 is at 1.074867 4.977578 -.249624 ESP Fit Center 7546 is at .834341 4.634071 -.249624 ESP Fit Center 7547 is at .657119 4.254016 -.249624 ESP Fit Center 7548 is at 5.062626 3.844603 -.610870 ESP Fit Center 7549 is at 4.945630 4.243052 -.610870 ESP Fit Center 7550 is at 4.755342 4.612159 -.610870 ESP Fit Center 7551 is at 1.200742 4.781485 -.610870 ESP Fit Center 7552 is at .976230 4.432138 -.610870 ESP Fit Center 7553 is at .821889 4.046614 -.610870 ESP Fit Center 7554 is at .743299 3.638848 -.610870 ESP Fit Center 7555 is at 4.637873 4.259578 -.933038 ESP Fit Center 7556 is at 4.410417 4.621572 -.933038 ESP Fit Center 7557 is at 1.727394 4.923876 -.933038 ESP Fit Center 7558 is at 1.425090 4.621572 -.933038 ESP Fit Center 7559 is at 1.197635 4.259578 -.933038 ESP Fit Center 7560 is at 1.056433 3.856047 -.933038 ESP Fit Center 7561 is at 1.008565 3.431212 -.933038 ESP Fit Center 7562 is at 2.124244 4.805612 -1.208195 ESP Fit Center 7563 is at 1.795561 4.553405 -1.208195 ESP Fit Center 7564 is at 1.543354 4.224722 -1.208195 ESP Fit Center 7565 is at 1.881203 3.927503 5.435770 ESP Fit Center 7566 is at 2.295981 3.927503 5.401400 ESP Fit Center 7567 is at 2.088592 4.286712 5.401400 ESP Fit Center 7568 is at 1.673814 4.286712 5.401400 ESP Fit Center 7569 is at 1.466425 3.927503 5.401400 ESP Fit Center 7570 is at 1.673814 3.568295 5.401400 ESP Fit Center 7571 is at 2.088592 3.568295 5.401400 ESP Fit Center 7572 is at 2.699446 3.927503 5.299229 ESP Fit Center 7573 is at 2.589822 4.336625 5.299229 ESP Fit Center 7574 is at 2.290324 4.636122 5.299229 ESP Fit Center 7575 is at 1.881203 4.745746 5.299229 ESP Fit Center 7576 is at 1.472082 4.636122 5.299229 ESP Fit Center 7577 is at 1.172584 4.336625 5.299229 ESP Fit Center 7578 is at 1.062960 3.927503 5.299229 ESP Fit Center 7579 is at 1.172584 3.518382 5.299229 ESP Fit Center 7580 is at 1.472082 3.218884 5.299229 ESP Fit Center 7581 is at 1.881203 3.109261 5.299229 ESP Fit Center 7582 is at 2.290324 3.218884 5.299229 ESP Fit Center 7583 is at 2.589822 3.518382 5.299229 ESP Fit Center 7584 is at 3.080591 3.927503 5.132044 ESP Fit Center 7585 is at 3.008259 4.337718 5.132044 ESP Fit Center 7586 is at 2.799987 4.698455 5.132044 ESP Fit Center 7587 is at 2.480897 4.966203 5.132044 ESP Fit Center 7588 is at 2.089475 5.108669 5.132044 ESP Fit Center 7589 is at 1.672932 5.108669 5.132044 ESP Fit Center 7590 is at 1.281509 4.966203 5.132044 ESP Fit Center 7591 is at .962419 4.698455 5.132044 ESP Fit Center 7592 is at .754148 4.337718 5.132044 ESP Fit Center 7593 is at .681816 3.927503 5.132044 ESP Fit Center 7594 is at .754148 3.517289 5.132044 ESP Fit Center 7595 is at .962419 3.156552 5.132044 ESP Fit Center 7596 is at 2.089475 2.746337 5.132044 ESP Fit Center 7597 is at 2.480897 2.888803 5.132044 ESP Fit Center 7598 is at 2.799987 3.156552 5.132044 ESP Fit Center 7599 is at 3.008259 3.517289 5.132044 ESP Fit Center 7600 is at 3.429019 3.927503 4.904404 ESP Fit Center 7601 is at 3.371622 4.345099 4.904404 ESP Fit Center 7602 is at 3.203687 4.731724 4.904404 ESP Fit Center 7603 is at 2.937670 5.058703 4.904404 ESP Fit Center 7604 is at 2.593299 5.301786 4.904404 ESP Fit Center 7605 is at 2.196116 5.442945 4.904404 ESP Fit Center 7606 is at 1.775576 5.471711 4.904404 ESP Fit Center 7607 is at 1.362871 5.385950 4.904404 ESP Fit Center 7608 is at .988608 5.192022 4.904404 ESP Fit Center 7609 is at .680545 4.904311 4.904404 ESP Fit Center 7610 is at .461529 4.544155 4.904404 ESP Fit Center 7611 is at .347803 4.138264 4.904404 ESP Fit Center 7612 is at .347803 3.716742 4.904404 ESP Fit Center 7613 is at 2.593299 2.553220 4.904404 ESP Fit Center 7614 is at 2.937670 2.796304 4.904404 ESP Fit Center 7615 is at 3.203687 3.123283 4.904404 ESP Fit Center 7616 is at 3.371622 3.509908 4.904404 ESP Fit Center 7617 is at 3.735227 3.927503 4.622519 ESP Fit Center 7618 is at 3.685252 4.355071 4.622519 ESP Fit Center 7619 is at 3.538020 4.759588 4.622519 ESP Fit Center 7620 is at 3.301468 5.119247 4.622519 ESP Fit Center 7621 is at 2.988350 5.414659 4.622519 ESP Fit Center 7622 is at 2.615545 5.629898 4.622519 ESP Fit Center 7623 is at 2.203151 5.753361 4.622519 ESP Fit Center 7624 is at 1.773401 5.778391 4.622519 ESP Fit Center 7625 is at 1.349463 5.703639 4.622519 ESP Fit Center 7626 is at .954191 5.533135 4.622519 ESP Fit Center 7627 is at .608894 5.276072 4.622519 ESP Fit Center 7628 is at .332188 4.946306 4.622519 ESP Fit Center 7629 is at .138990 4.561617 4.622519 ESP Fit Center 7630 is at .039715 4.142742 4.622519 ESP Fit Center 7631 is at 3.301468 2.735760 4.622519 ESP Fit Center 7632 is at 3.538020 3.095419 4.622519 ESP Fit Center 7633 is at 3.685252 3.499936 4.622519 ESP Fit Center 7634 is at 3.990863 3.927503 4.294079 ESP Fit Center 7635 is at 3.947678 4.352175 4.294079 ESP Fit Center 7636 is at 3.819891 4.759460 4.294079 ESP Fit Center 7637 is at 3.612735 5.132685 4.294079 ESP Fit Center 7638 is at 3.334689 5.456569 4.294079 ESP Fit Center 7639 is at 2.997137 5.717854 4.294079 ESP Fit Center 7640 is at 2.613899 5.905841 4.294079 ESP Fit Center 7641 is at 2.200664 6.012835 4.294079 ESP Fit Center 7642 is at 1.774351 6.034455 4.294079 ESP Fit Center 7643 is at 1.352412 5.969816 4.294079 ESP Fit Center 7644 is at .952121 5.821565 4.294079 ESP Fit Center 7645 is at .589868 5.595771 4.294079 ESP Fit Center 7646 is at .280482 5.301677 4.294079 ESP Fit Center 7647 is at .036629 4.951325 4.294079 ESP Fit Center 7648 is at -.131706 4.559058 4.294079 ESP Fit Center 7649 is at -.217632 4.140934 4.294079 ESP Fit Center 7650 is at 3.947678 3.502832 4.294079 ESP Fit Center 7651 is at 4.188952 3.927503 3.928042 ESP Fit Center 7652 is at 4.149658 4.351551 3.928042 ESP Fit Center 7653 is at 4.033115 4.761158 3.928042 ESP Fit Center 7654 is at 3.843291 5.142377 3.928042 ESP Fit Center 7655 is at 3.586650 5.482224 3.928042 ESP Fit Center 7656 is at 3.271932 5.769127 3.928042 ESP Fit Center 7657 is at 2.909855 5.993315 3.928042 ESP Fit Center 7658 is at 2.512749 6.147155 3.928042 ESP Fit Center 7659 is at 2.094135 6.225408 3.928042 ESP Fit Center 7660 is at 1.668271 6.225408 3.928042 ESP Fit Center 7661 is at 1.249658 6.147155 3.928042 ESP Fit Center 7662 is at .852551 5.993315 3.928042 ESP Fit Center 7663 is at .490474 5.769127 3.928042 ESP Fit Center 7664 is at .175756 5.482224 3.928042 ESP Fit Center 7665 is at -.080884 5.142377 3.928042 ESP Fit Center 7666 is at -.270709 4.761158 3.928042 ESP Fit Center 7667 is at -.387252 4.351551 3.928042 ESP Fit Center 7668 is at 4.286979 4.351706 3.534393 ESP Fit Center 7669 is at 4.176768 4.763020 3.534393 ESP Fit Center 7670 is at 3.996807 5.148948 3.534393 ESP Fit Center 7671 is at 3.752564 5.497762 3.534393 ESP Fit Center 7672 is at 3.451462 5.798865 3.534393 ESP Fit Center 7673 is at 3.102647 6.043107 3.534393 ESP Fit Center 7674 is at 2.716720 6.223068 3.534393 ESP Fit Center 7675 is at 2.305406 6.333279 3.534393 ESP Fit Center 7676 is at 1.881203 6.370392 3.534393 ESP Fit Center 7677 is at 1.457000 6.333279 3.534393 ESP Fit Center 7678 is at 1.045686 6.223068 3.534393 ESP Fit Center 7679 is at .659759 6.043107 3.534393 ESP Fit Center 7680 is at .310945 5.798865 3.534393 ESP Fit Center 7681 is at .009842 5.497762 3.534393 ESP Fit Center 7682 is at -.234401 5.148948 3.534393 ESP Fit Center 7683 is at -.414361 4.763020 3.534393 ESP Fit Center 7684 is at -.524573 4.351706 3.534393 ESP Fit Center 7685 is at 4.249139 4.764148 3.123870 ESP Fit Center 7686 is at 4.073685 5.152297 3.123870 ESP Fit Center 7687 is at 3.835157 5.505211 3.123870 ESP Fit Center 7688 is at 3.540417 5.812736 3.123870 ESP Fit Center 7689 is at 3.197945 6.066028 3.123870 ESP Fit Center 7690 is at 2.817592 6.257797 3.123870 ESP Fit Center 7691 is at 2.410302 6.382529 3.123870 ESP Fit Center 7692 is at 1.987790 6.436633 3.123870 ESP Fit Center 7693 is at 1.562211 6.418555 3.123870 ESP Fit Center 7694 is at 1.145810 6.328814 3.123870 ESP Fit Center 7695 is at .750565 6.169991 3.123870 ESP Fit Center 7696 is at .387846 5.946656 3.123870 ESP Fit Center 7697 is at .068088 5.665234 3.123870 ESP Fit Center 7698 is at -.199510 5.333820 3.123870 ESP Fit Center 7699 is at -.407250 4.961949 3.123870 ESP Fit Center 7700 is at -.549155 4.560319 3.123870 ESP Fit Center 7701 is at -.621143 4.140484 3.123870 ESP Fit Center 7702 is at 4.073685 5.152297 2.707670 ESP Fit Center 7703 is at 3.835157 5.505211 2.707670 ESP Fit Center 7704 is at 3.540417 5.812736 2.707670 ESP Fit Center 7705 is at 3.197945 6.066028 2.707670 ESP Fit Center 7706 is at 2.817592 6.257797 2.707670 ESP Fit Center 7707 is at 2.410302 6.382529 2.707670 ESP Fit Center 7708 is at 1.987790 6.436633 2.707670 ESP Fit Center 7709 is at 1.562211 6.418555 2.707670 ESP Fit Center 7710 is at 1.145810 6.328814 2.707670 ESP Fit Center 7711 is at .750565 6.169991 2.707670 ESP Fit Center 7712 is at .387846 5.946656 2.707670 ESP Fit Center 7713 is at .068088 5.665234 2.707670 ESP Fit Center 7714 is at -.199510 5.333820 2.707670 ESP Fit Center 7715 is at -.407250 4.961949 2.707670 ESP Fit Center 7716 is at -.549155 4.560319 2.707670 ESP Fit Center 7717 is at -.621143 4.140484 2.707670 ESP Fit Center 7718 is at 3.102647 6.043107 2.297146 ESP Fit Center 7719 is at 2.716720 6.223068 2.297146 ESP Fit Center 7720 is at 2.305406 6.333279 2.297146 ESP Fit Center 7721 is at 1.881203 6.370392 2.297146 ESP Fit Center 7722 is at 1.457000 6.333279 2.297146 ESP Fit Center 7723 is at 1.045686 6.223068 2.297146 ESP Fit Center 7724 is at .659759 6.043107 2.297146 ESP Fit Center 7725 is at .310945 5.798865 2.297146 ESP Fit Center 7726 is at .009842 5.497762 2.297146 ESP Fit Center 7727 is at -.234401 5.148948 2.297146 ESP Fit Center 7728 is at -.414361 4.763020 2.297146 ESP Fit Center 7729 is at -.524573 4.351706 2.297146 ESP Fit Center 7730 is at -.561686 3.927503 2.297146 ESP Fit Center 7731 is at 2.094135 6.225408 1.903497 ESP Fit Center 7732 is at 1.668271 6.225408 1.903497 ESP Fit Center 7733 is at 1.249658 6.147155 1.903497 ESP Fit Center 7734 is at .852551 5.993315 1.903497 ESP Fit Center 7735 is at .490474 5.769127 1.903497 ESP Fit Center 7736 is at .175756 5.482224 1.903497 ESP Fit Center 7737 is at -.080884 5.142377 1.903497 ESP Fit Center 7738 is at -.270709 4.761158 1.903497 ESP Fit Center 7739 is at -.387252 4.351551 1.903497 ESP Fit Center 7740 is at -.426546 3.927503 1.903497 ESP Fit Center 7741 is at 1.774351 6.034455 1.537460 ESP Fit Center 7742 is at 1.352412 5.969816 1.537460 ESP Fit Center 7743 is at .952121 5.821565 1.537460 ESP Fit Center 7744 is at .589868 5.595771 1.537460 ESP Fit Center 7745 is at .280482 5.301677 1.537460 ESP Fit Center 7746 is at .036629 4.951325 1.537460 ESP Fit Center 7747 is at -.131706 4.559058 1.537460 ESP Fit Center 7748 is at -.217632 4.140934 1.537460 ESP Fit Center 7749 is at .954191 5.533135 1.209020 ESP Fit Center 7750 is at .608894 5.276072 1.209020 ESP Fit Center 7751 is at .332188 4.946306 1.209020 ESP Fit Center 7752 is at .138990 4.561617 1.209020 ESP Fit Center 7753 is at 3.418117 .694929 4.669559 ESP Fit Center 7754 is at 3.830090 .694929 4.570653 ESP Fit Center 7755 is at 3.718309 1.112102 4.570653 ESP Fit Center 7756 is at 4.221518 .694929 4.408518 ESP Fit Center 7757 is at 4.147595 1.114169 4.408518 ESP Fit Center 7758 is at 3.934742 1.482842 4.408518 ESP Fit Center 7759 is at 4.582764 .694929 4.187146 ESP Fit Center 7760 is at 4.528688 1.105680 4.187146 ESP Fit Center 7761 is at 4.370144 1.488439 4.187146 ESP Fit Center 7762 is at 4.117937 1.817122 4.187146 ESP Fit Center 7763 is at 4.904932 .694929 3.911989 ESP Fit Center 7764 is at 4.857065 1.119764 3.911989 ESP Fit Center 7765 is at 4.715863 1.523295 3.911989 ESP Fit Center 7766 is at 4.488408 1.885289 3.911989 ESP Fit Center 7767 is at 4.857065 .270095 3.911989 ESP Fit Center 7768 is at 5.180090 .694929 3.589821 ESP Fit Center 7769 is at 5.140616 1.108320 3.589821 ESP Fit Center 7770 is at 5.023621 1.506769 3.589821 ESP Fit Center 7771 is at 4.833333 1.875876 3.589821 ESP Fit Center 7772 is at 4.576629 2.202301 3.589821 ESP Fit Center 7773 is at 5.364913 1.112678 3.228575 ESP Fit Center 7774 is at 5.256379 1.517733 3.228575 ESP Fit Center 7775 is at 5.079157 1.897788 3.228575 ESP Fit Center 7776 is at 4.838631 2.241295 3.228575 ESP Fit Center 7777 is at 5.528574 1.117584 2.837146 ESP Fit Center 7778 is at 5.424463 1.528710 2.837146 ESP Fit Center 7779 is at 5.254103 1.917092 2.837146 ESP Fit Center 7780 is at 5.022140 2.272137 2.837146 ESP Fit Center 7781 is at 5.009399 -1.132441 4.189332 ESP Fit Center 7782 is at 5.424178 -1.132441 4.154963 ESP Fit Center 7783 is at 5.216789 -.773232 4.154963 ESP Fit Center 7784 is at 5.216789 -1.491650 4.154963 ESP Fit Center 7785 is at 5.827642 -1.132441 4.052792 ESP Fit Center 7786 is at 5.718018 -.723320 4.052792 ESP Fit Center 7787 is at 5.418521 -.423822 4.052792 ESP Fit Center 7788 is at 5.009399 -.314198 4.052792 ESP Fit Center 7789 is at 5.418521 -1.841060 4.052792 ESP Fit Center 7790 is at 5.718018 -1.541562 4.052792 ESP Fit Center 7791 is at 6.208787 -1.132441 3.885606 ESP Fit Center 7792 is at 6.136455 -.722226 3.885606 ESP Fit Center 7793 is at 5.928183 -.361490 3.885606 ESP Fit Center 7794 is at 5.609093 -.093741 3.885606 ESP Fit Center 7795 is at 5.217671 .048725 3.885606 ESP Fit Center 7796 is at 5.609093 -2.171141 3.885606 ESP Fit Center 7797 is at 5.928183 -1.903392 3.885606 ESP Fit Center 7798 is at 6.136455 -1.542656 3.885606 ESP Fit Center 7799 is at 6.557215 -1.132441 3.657966 ESP Fit Center 7800 is at 6.499818 -.714845 3.657966 ESP Fit Center 7801 is at 6.331883 -.328221 3.657966 ESP Fit Center 7802 is at 6.065866 -.001241 3.657966 ESP Fit Center 7803 is at 5.721495 .241842 3.657966 ESP Fit Center 7804 is at 5.324312 .383001 3.657966 ESP Fit Center 7805 is at 5.721495 -2.506724 3.657966 ESP Fit Center 7806 is at 6.065866 -2.263641 3.657966 ESP Fit Center 7807 is at 6.331883 -1.936661 3.657966 ESP Fit Center 7808 is at 6.499818 -1.550037 3.657966 ESP Fit Center 7809 is at 6.863424 -1.132441 3.376082 ESP Fit Center 7810 is at 6.813448 -.704873 3.376082 ESP Fit Center 7811 is at 6.666216 -.300356 3.376082 ESP Fit Center 7812 is at 6.429664 .059303 3.376082 ESP Fit Center 7813 is at 6.116546 .354715 3.376082 ESP Fit Center 7814 is at 5.743741 .569954 3.376082 ESP Fit Center 7815 is at 5.331347 .693417 3.376082 ESP Fit Center 7816 is at 5.743741 -2.834836 3.376082 ESP Fit Center 7817 is at 6.116546 -2.619597 3.376082 ESP Fit Center 7818 is at 6.429664 -2.324185 3.376082 ESP Fit Center 7819 is at 6.666216 -1.964525 3.376082 ESP Fit Center 7820 is at 6.813448 -1.560008 3.376082 ESP Fit Center 7821 is at 7.119059 -1.132441 3.047642 ESP Fit Center 7822 is at 7.075874 -.707770 3.047642 ESP Fit Center 7823 is at 6.948087 -.300484 3.047642 ESP Fit Center 7824 is at 6.740931 .072741 3.047642 ESP Fit Center 7825 is at 6.462885 .396625 3.047642 ESP Fit Center 7826 is at 6.125333 .657910 3.047642 ESP Fit Center 7827 is at 5.742095 .845897 3.047642 ESP Fit Center 7828 is at 6.125333 -2.922791 3.047642 ESP Fit Center 7829 is at 6.462885 -2.661507 3.047642 ESP Fit Center 7830 is at 6.740931 -2.337622 3.047642 ESP Fit Center 7831 is at 6.948087 -1.964398 3.047642 ESP Fit Center 7832 is at 7.075874 -1.557112 3.047642 ESP Fit Center 7833 is at 7.317148 -1.132441 2.681605 ESP Fit Center 7834 is at 7.277854 -.708393 2.681605 ESP Fit Center 7835 is at 7.161311 -.298786 2.681605 ESP Fit Center 7836 is at 6.971487 .082432 2.681605 ESP Fit Center 7837 is at 6.714846 .422279 2.681605 ESP Fit Center 7838 is at 6.400129 .709182 2.681605 ESP Fit Center 7839 is at 6.038051 .933371 2.681605 ESP Fit Center 7840 is at 5.640945 1.087211 2.681605 ESP Fit Center 7841 is at 6.400129 -2.974064 2.681605 ESP Fit Center 7842 is at 6.714846 -2.687161 2.681605 ESP Fit Center 7843 is at 6.971487 -2.347314 2.681605 ESP Fit Center 7844 is at 7.161311 -1.966096 2.681605 ESP Fit Center 7845 is at 7.277854 -1.556489 2.681605 ESP Fit Center 7846 is at 7.415175 -.708238 2.287956 ESP Fit Center 7847 is at 7.304964 -.296924 2.287956 ESP Fit Center 7848 is at 7.125003 .089003 2.287956 ESP Fit Center 7849 is at 6.880761 .437818 2.287956 ESP Fit Center 7850 is at 6.579658 .738920 2.287956 ESP Fit Center 7851 is at 6.230844 .983163 2.287956 ESP Fit Center 7852 is at 7.201881 .092353 1.877432 ESP Fit Center 7853 is at 2.076588 -4.316445 2.850190 ESP Fit Center 7854 is at 2.493131 -4.316445 2.850190 ESP Fit Center 7855 is at 1.084201 -4.112087 2.622550 ESP Fit Center 7856 is at 1.392265 -4.399798 2.622550 ESP Fit Center 7857 is at 1.766528 -4.593725 2.622550 ESP Fit Center 7858 is at 2.179233 -4.679486 2.622550 ESP Fit Center 7859 is at 2.599772 -4.650721 2.622550 ESP Fit Center 7860 is at 2.996956 -4.509562 2.622550 ESP Fit Center 7861 is at .735845 -4.154082 2.340666 ESP Fit Center 7862 is at 1.012551 -4.483847 2.340666 ESP Fit Center 7863 is at 1.357848 -4.740911 2.340666 ESP Fit Center 7864 is at 1.753120 -4.911414 2.340666 ESP Fit Center 7865 is at 2.177058 -4.986166 2.340666 ESP Fit Center 7866 is at 2.606808 -4.961136 2.340666 ESP Fit Center 7867 is at 3.019201 -4.837674 2.340666 ESP Fit Center 7868 is at .186024 -3.348709 2.012225 ESP Fit Center 7869 is at .271951 -3.766833 2.012225 ESP Fit Center 7870 is at .440286 -4.159100 2.012225 ESP Fit Center 7871 is at .684138 -4.509453 2.012225 ESP Fit Center 7872 is at .993524 -4.803546 2.012225 ESP Fit Center 7873 is at 1.355778 -5.029340 2.012225 ESP Fit Center 7874 is at 1.756068 -5.177592 2.012225 ESP Fit Center 7875 is at 2.178007 -5.242230 2.012225 ESP Fit Center 7876 is at 2.604321 -5.220610 2.012225 ESP Fit Center 7877 is at 3.017556 -5.113616 2.012225 ESP Fit Center 7878 is at .016405 -2.711231 1.646189 ESP Fit Center 7879 is at -.022889 -3.135279 1.646189 ESP Fit Center 7880 is at .016405 -3.559326 1.646189 ESP Fit Center 7881 is at .132948 -3.968934 1.646189 ESP Fit Center 7882 is at .322772 -4.350152 1.646189 ESP Fit Center 7883 is at .579413 -4.689999 1.646189 ESP Fit Center 7884 is at .894130 -4.976902 1.646189 ESP Fit Center 7885 is at 1.256208 -5.201091 1.646189 ESP Fit Center 7886 is at 1.653314 -5.354931 1.646189 ESP Fit Center 7887 is at 2.071927 -5.433183 1.646189 ESP Fit Center 7888 is at 2.497792 -5.433183 1.646189 ESP Fit Center 7889 is at 2.916405 -5.354931 1.646189 ESP Fit Center 7890 is at -.010705 -2.299761 1.252540 ESP Fit Center 7891 is at -.120916 -2.711075 1.252540 ESP Fit Center 7892 is at -.158029 -3.135279 1.252540 ESP Fit Center 7893 is at -.120916 -3.559482 1.252540 ESP Fit Center 7894 is at -.010705 -3.970796 1.252540 ESP Fit Center 7895 is at .169256 -4.356723 1.252540 ESP Fit Center 7896 is at .413498 -4.705537 1.252540 ESP Fit Center 7897 is at .714601 -5.006640 1.252540 ESP Fit Center 7898 is at 1.063415 -5.250882 1.252540 ESP Fit Center 7899 is at 1.449343 -5.430843 1.252540 ESP Fit Center 7900 is at 1.860657 -5.541054 1.252540 ESP Fit Center 7901 is at 2.284860 -5.578167 1.252540 ESP Fit Center 7902 is at 2.709063 -5.541054 1.252540 ESP Fit Center 7903 is at -.145498 -3.768095 .842016 ESP Fit Center 7904 is at -.003593 -4.169724 .842016 ESP Fit Center 7905 is at .204146 -4.541595 .842016 ESP Fit Center 7906 is at .471744 -4.873009 .842016 ESP Fit Center 7907 is at .791502 -5.154431 .842016 ESP Fit Center 7908 is at 1.154221 -5.377766 .842016 ESP Fit Center 7909 is at 1.549467 -5.536589 .842016 ESP Fit Center 7910 is at 1.965868 -5.626330 .842016 ESP Fit Center 7911 is at 2.391446 -5.644409 .842016 ESP Fit Center 7912 is at 2.813958 -5.590304 .842016 ESP Fit Center 7913 is at .204146 -4.541595 .425816 ESP Fit Center 7914 is at .471744 -4.873009 .425816 ESP Fit Center 7915 is at .791502 -5.154431 .425816 ESP Fit Center 7916 is at 1.154221 -5.377766 .425816 ESP Fit Center 7917 is at 1.549467 -5.536589 .425816 ESP Fit Center 7918 is at 1.965868 -5.626330 .425816 ESP Fit Center 7919 is at 2.391446 -5.644409 .425816 ESP Fit Center 7920 is at 2.813958 -5.590304 .425816 ESP Fit Center 7921 is at .413498 -4.705537 .015293 ESP Fit Center 7922 is at .714601 -5.006640 .015293 ESP Fit Center 7923 is at 1.063415 -5.250882 .015293 ESP Fit Center 7924 is at 1.449343 -5.430843 .015293 ESP Fit Center 7925 is at 1.860657 -5.541054 .015293 ESP Fit Center 7926 is at 2.284860 -5.578167 .015293 ESP Fit Center 7927 is at 2.709063 -5.541054 .015293 ESP Fit Center 7928 is at .894130 -4.976902 -.378356 ESP Fit Center 7929 is at 1.256208 -5.201091 -.378356 ESP Fit Center 7930 is at 1.653314 -5.354931 -.378356 ESP Fit Center 7931 is at 2.071927 -5.433183 -.378356 ESP Fit Center 7932 is at 2.497792 -5.433183 -.378356 ESP Fit Center 7933 is at 2.916405 -5.354931 -.378356 ESP Fit Center 7934 is at 1.355778 -5.029340 -.744393 ESP Fit Center 7935 is at 1.756068 -5.177592 -.744393 ESP Fit Center 7936 is at 2.178007 -5.242230 -.744393 ESP Fit Center 7937 is at 2.604321 -5.220610 -.744393 ESP Fit Center 7938 is at 3.017556 -5.113616 -.744393 ESP Fit Center 7939 is at 1.753120 -4.911414 -1.072833 ESP Fit Center 7940 is at 2.177058 -4.986166 -1.072833 ESP Fit Center 7941 is at 2.606808 -4.961136 -1.072833 ESP Fit Center 7942 is at 3.019201 -4.837674 -1.072833 ESP Fit Center 7943 is at 2.179233 -4.679486 -1.354718 ESP Fit Center 7944 is at 2.599772 -4.650721 -1.354718 ESP Fit Center 7945 is at 2.996956 -4.509562 -1.354718 ESP Fit Center 7946 is at 2.493131 -4.316445 -1.582358 ESP Fit Center 7947 is at 2.884553 -4.173979 -1.582358 ESP Fit Center 7948 is at 2.693981 -3.843898 -1.749543 ESP Fit Center 7949 is at 5.415688 -3.898621 3.059199 ESP Fit Center 7950 is at 4.793520 -4.257830 3.059199 ESP Fit Center 7951 is at 5.208298 -4.257830 3.059199 ESP Fit Center 7952 is at 5.819152 -3.898621 2.957028 ESP Fit Center 7953 is at 5.709528 -3.489500 2.957028 ESP Fit Center 7954 is at 4.591788 -4.607240 2.957028 ESP Fit Center 7955 is at 5.000909 -4.716864 2.957028 ESP Fit Center 7956 is at 5.410031 -4.607240 2.957028 ESP Fit Center 7957 is at 5.709528 -4.307742 2.957028 ESP Fit Center 7958 is at 6.200297 -3.898621 2.789843 ESP Fit Center 7959 is at 6.127965 -3.488406 2.789843 ESP Fit Center 7960 is at 4.082125 -4.669572 2.789843 ESP Fit Center 7961 is at 4.401216 -4.937321 2.789843 ESP Fit Center 7962 is at 4.792638 -5.079787 2.789843 ESP Fit Center 7963 is at 5.209181 -5.079787 2.789843 ESP Fit Center 7964 is at 5.600603 -4.937321 2.789843 ESP Fit Center 7965 is at 5.919693 -4.669572 2.789843 ESP Fit Center 7966 is at 6.127965 -4.308836 2.789843 ESP Fit Center 7967 is at 6.548725 -3.898621 2.562203 ESP Fit Center 7968 is at 6.491328 -3.481025 2.562203 ESP Fit Center 7969 is at 6.323393 -3.094401 2.562203 ESP Fit Center 7970 is at 3.800251 -4.875429 2.562203 ESP Fit Center 7971 is at 4.108314 -5.163140 2.562203 ESP Fit Center 7972 is at 4.482577 -5.357068 2.562203 ESP Fit Center 7973 is at 4.895283 -5.442829 2.562203 ESP Fit Center 7974 is at 5.315822 -5.414063 2.562203 ESP Fit Center 7975 is at 5.713005 -5.272904 2.562203 ESP Fit Center 7976 is at 6.057376 -5.029821 2.562203 ESP Fit Center 7977 is at 6.323393 -4.702841 2.562203 ESP Fit Center 7978 is at 6.491328 -4.316217 2.562203 ESP Fit Center 7979 is at 6.854934 -3.898621 2.280319 ESP Fit Center 7980 is at 6.804958 -3.471054 2.280319 ESP Fit Center 7981 is at 3.451895 -4.917424 2.280319 ESP Fit Center 7982 is at 3.728601 -5.247189 2.280319 ESP Fit Center 7983 is at 4.073897 -5.504253 2.280319 ESP Fit Center 7984 is at 4.469169 -5.674757 2.280319 ESP Fit Center 7985 is at 4.893107 -5.749509 2.280319 ESP Fit Center 7986 is at 5.322857 -5.724478 2.280319 ESP Fit Center 7987 is at 5.735251 -5.601016 2.280319 ESP Fit Center 7988 is at 6.108056 -5.385777 2.280319 ESP Fit Center 7989 is at 6.421174 -5.090365 2.280319 ESP Fit Center 7990 is at 6.657726 -4.730706 2.280319 ESP Fit Center 7991 is at 6.804958 -4.326188 2.280319 ESP Fit Center 7992 is at 7.110569 -3.898621 1.951878 ESP Fit Center 7993 is at 3.400188 -5.272795 1.951878 ESP Fit Center 7994 is at 3.709574 -5.566889 1.951878 ESP Fit Center 7995 is at 4.071828 -5.792683 1.951878 ESP Fit Center 7996 is at 4.472118 -5.940934 1.951878 ESP Fit Center 7997 is at 4.894057 -6.005573 1.951878 ESP Fit Center 7998 is at 5.320370 -5.983953 1.951878 ESP Fit Center 7999 is at 5.733605 -5.876959 1.951878 ESP Fit Center 8000 is at 6.116843 -5.688971 1.951878 ESP Fit Center 8001 is at 6.454395 -5.427687 1.951878 ESP Fit Center 8002 is at 6.732441 -5.103802 1.951878 ESP Fit Center 8003 is at 6.939597 -4.730578 1.951878 ESP Fit Center 8004 is at 7.067384 -4.323292 1.951878 ESP Fit Center 8005 is at 7.308658 -3.898621 1.585841 ESP Fit Center 8006 is at 3.295462 -5.453341 1.585841 ESP Fit Center 8007 is at 3.610180 -5.740244 1.585841 ESP Fit Center 8008 is at 3.972257 -5.964433 1.585841 ESP Fit Center 8009 is at 4.369364 -6.118273 1.585841 ESP Fit Center 8010 is at 4.787977 -6.196525 1.585841 ESP Fit Center 8011 is at 5.213841 -6.196525 1.585841 ESP Fit Center 8012 is at 5.632455 -6.118273 1.585841 ESP Fit Center 8013 is at 6.029561 -5.964433 1.585841 ESP Fit Center 8014 is at 6.391639 -5.740244 1.585841 ESP Fit Center 8015 is at 3.129548 -5.468880 1.192192 ESP Fit Center 8016 is at 3.430651 -5.769982 1.192192 ESP Fit Center 8017 is at 3.779465 -6.014225 1.192192 ESP Fit Center 8018 is at 4.165392 -6.194185 1.192192 ESP Fit Center 8019 is at 4.576706 -6.304397 1.192192 ESP Fit Center 8020 is at 5.000909 -6.341510 1.192192 ESP Fit Center 8021 is at 5.425112 -6.304397 1.192192 ESP Fit Center 8022 is at 5.836426 -6.194185 1.192192 ESP Fit Center 8023 is at 3.187794 -5.636351 .781669 ESP Fit Center 8024 is at 3.507552 -5.917774 .781669 ESP Fit Center 8025 is at 3.870271 -6.141109 .781669 ESP Fit Center 8026 is at 4.265516 -6.299931 .781669 ESP Fit Center 8027 is at 4.681918 -6.389673 .781669 ESP Fit Center 8028 is at 5.107496 -6.407751 .781669 ESP Fit Center 8029 is at 5.530008 -6.353646 .781669 ESP Fit Center 8030 is at 3.187794 -5.636351 .365469 ESP Fit Center 8031 is at 3.507552 -5.917774 .365469 ESP Fit Center 8032 is at 3.870271 -6.141109 .365469 ESP Fit Center 8033 is at 4.265516 -6.299931 .365469 ESP Fit Center 8034 is at 4.681918 -6.389673 .365469 ESP Fit Center 8035 is at 5.107496 -6.407751 .365469 ESP Fit Center 8036 is at 3.129548 -5.468880 -.045054 ESP Fit Center 8037 is at 3.430651 -5.769982 -.045054 ESP Fit Center 8038 is at 3.779465 -6.014225 -.045054 ESP Fit Center 8039 is at 4.165392 -6.194185 -.045054 ESP Fit Center 8040 is at 4.576706 -6.304397 -.045054 ESP Fit Center 8041 is at 5.000909 -6.341510 -.045054 ESP Fit Center 8042 is at 3.295462 -5.453341 -.438703 ESP Fit Center 8043 is at 3.610180 -5.740244 -.438703 ESP Fit Center 8044 is at 3.972257 -5.964433 -.438703 ESP Fit Center 8045 is at 4.369364 -6.118273 -.438703 ESP Fit Center 8046 is at 4.787977 -6.196525 -.438703 ESP Fit Center 8047 is at 3.400188 -5.272795 -.804740 ESP Fit Center 8048 is at 3.709574 -5.566889 -.804740 ESP Fit Center 8049 is at 4.071828 -5.792683 -.804740 ESP Fit Center 8050 is at 4.472118 -5.940934 -.804740 ESP Fit Center 8051 is at 3.451895 -4.917424 -1.133181 ESP Fit Center 8052 is at 3.728601 -5.247189 -1.133181 ESP Fit Center 8053 is at 4.073897 -5.504253 -1.133181 ESP Fit Center 8054 is at 4.469169 -5.674757 -1.133181 ESP Fit Center 8055 is at 3.800251 -4.875429 -1.415065 ESP Fit Center 8056 is at 4.108314 -5.163140 -1.415065 ESP Fit Center 8057 is at 4.482577 -5.357068 -1.415065 ESP Fit Center 8058 is at 4.401216 -4.937321 -1.642705 ESP Fit Center 8059 is at 7.160282 1.190955 -2.434272 ESP Fit Center 8060 is at 7.050071 1.602269 -2.434272 ESP Fit Center 8061 is at 6.870110 1.988196 -2.434272 ESP Fit Center 8062 is at 7.265899 .766752 -2.844796 ESP Fit Center 8063 is at 7.229775 1.191179 -2.844796 ESP Fit Center 8064 is at 7.122442 1.603397 -2.844796 ESP Fit Center 8065 is at 6.946988 1.991545 -2.844796 ESP Fit Center 8066 is at 6.708460 2.344459 -2.844796 ESP Fit Center 8067 is at 6.413720 2.651985 -2.844796 ESP Fit Center 8068 is at 7.265899 .766752 -3.260996 ESP Fit Center 8069 is at 7.229775 1.191179 -3.260996 ESP Fit Center 8070 is at 7.122442 1.603397 -3.260996 ESP Fit Center 8071 is at 6.946988 1.991545 -3.260996 ESP Fit Center 8072 is at 6.708460 2.344459 -3.260996 ESP Fit Center 8073 is at 6.413720 2.651985 -3.260996 ESP Fit Center 8074 is at 6.071248 2.905276 -3.260996 ESP Fit Center 8075 is at 7.122442 -.069893 -3.260996 ESP Fit Center 8076 is at 7.229775 .342324 -3.260996 ESP Fit Center 8077 is at 7.197395 .766752 -3.671519 ESP Fit Center 8078 is at 7.160282 1.190955 -3.671519 ESP Fit Center 8079 is at 7.050071 1.602269 -3.671519 ESP Fit Center 8080 is at 6.870110 1.988196 -3.671519 ESP Fit Center 8081 is at 6.625868 2.337010 -3.671519 ESP 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Center 8174 is at 3.555119 .766752 -5.269170 ESP Fit Center 8175 is at 3.627451 .356537 -5.269170 ESP Fit Center 8176 is at 3.835722 -.004200 -5.269170 ESP Fit Center 8177 is at 4.154813 -.271948 -5.269170 ESP Fit Center 8178 is at 4.546235 -.414414 -5.269170 ESP Fit Center 8179 is at 4.962778 -.414414 -5.269170 ESP Fit Center 8180 is at 5.354200 -.271948 -5.269170 ESP Fit Center 8181 is at 5.673290 -.004200 -5.269170 ESP Fit Center 8182 is at 5.881562 .356537 -5.269170 ESP Fit Center 8183 is at 5.572749 .766752 -5.436355 ESP Fit Center 8184 is at 5.463125 1.175873 -5.436355 ESP Fit Center 8185 is at 5.163628 1.475371 -5.436355 ESP Fit Center 8186 is at 4.754506 1.584994 -5.436355 ESP Fit Center 8187 is at 4.345385 1.475371 -5.436355 ESP Fit Center 8188 is at 4.045887 1.175873 -5.436355 ESP Fit Center 8189 is at 3.936264 .766752 -5.436355 ESP Fit Center 8190 is at 4.045887 .357630 -5.436355 ESP Fit Center 8191 is at 4.345385 .058133 -5.436355 ESP Fit Center 8192 is at 4.754506 -.051491 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Fit Center 8230 is at 3.628670 4.636086 -2.182500 ESP Fit Center 8231 is at 3.204466 4.673199 -2.182500 ESP Fit Center 8232 is at 2.780263 4.636086 -2.182500 ESP Fit Center 8233 is at 2.368949 4.525875 -2.182500 ESP Fit Center 8234 is at 1.983022 4.345914 -2.182500 ESP Fit Center 8235 is at 1.634208 4.101672 -2.182500 ESP Fit Center 8236 is at 1.333105 3.800569 -2.182500 ESP Fit Center 8237 is at 1.088863 3.451755 -2.182500 ESP Fit Center 8238 is at .908902 3.065827 -2.182500 ESP Fit Center 8239 is at 4.595196 4.071934 -2.576149 ESP Fit Center 8240 is at 4.233118 4.296122 -2.576149 ESP Fit Center 8241 is at 3.836012 4.449962 -2.576149 ESP Fit Center 8242 is at 3.417399 4.528215 -2.576149 ESP Fit Center 8243 is at 2.991534 4.528215 -2.576149 ESP Fit Center 8244 is at 2.572921 4.449962 -2.576149 ESP Fit Center 8245 is at 2.175814 4.296122 -2.576149 ESP Fit Center 8246 is at 1.813737 4.071934 -2.576149 ESP Fit Center 8247 is at 1.499019 3.785031 -2.576149 ESP Fit Center 8248 is at 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ESP Fit Center 8267 is at 1.655452 3.249113 -3.270626 ESP Fit Center 8268 is at 1.462253 2.864424 -3.270626 ESP Fit Center 8269 is at 3.098840 3.774518 -3.552510 ESP Fit Center 8270 is at 2.686134 3.688757 -3.552510 ESP Fit Center 8271 is at 2.311871 3.494829 -3.552510 ESP Fit Center 8272 is at 2.003808 3.207118 -3.552510 ESP Fit Center 8273 is at .712098 2.685195 -2.354487 ESP Fit Center 8274 is at .289586 2.739300 -2.354487 ESP Fit Center 8275 is at .712098 2.685195 -2.770687 ESP Fit Center 8276 is at .289586 2.739300 -2.770687 ESP Fit Center 8277 is at 1.018517 2.525734 -3.181211 ESP Fit Center 8278 is at .607203 2.635946 -3.181211 ESP Fit Center 8279 is at .183000 2.673059 -3.181211 ESP Fit Center 8280 is at 1.211652 2.295982 -3.574860 ESP Fit Center 8281 is at .814545 2.449822 -3.574860 ESP Fit Center 8282 is at .395932 2.528074 -3.574860 ESP Fit Center 8283 is at -.029932 2.528074 -3.574860 ESP Fit Center 8284 is at 1.298934 2.020520 -3.940896 ESP Fit Center 8285 is at .915696 2.208508 -3.940896 ESP Fit Center 8286 is at .502461 2.315502 -3.940896 ESP Fit Center 8287 is at .076147 2.337122 -3.940896 ESP Fit Center 8288 is at 1.290146 1.717326 -4.269337 ESP Fit Center 8289 is at .917341 1.932565 -4.269337 ESP Fit Center 8290 is at .504948 2.056027 -4.269337 ESP Fit Center 8291 is at .075198 2.081057 -4.269337 ESP Fit Center 8292 is at -.348740 2.006306 -4.269337 ESP Fit Center 8293 is at 1.673419 .647766 -4.551221 ESP Fit Center 8294 is at 1.505484 1.034390 -4.551221 ESP Fit Center 8295 is at 1.239466 1.361370 -4.551221 ESP Fit Center 8296 is at .895096 1.604453 -4.551221 ESP Fit Center 8297 is at .497912 1.745612 -4.551221 ESP Fit Center 8298 is at .077373 1.774378 -4.551221 ESP Fit Center 8299 is at -.335332 1.688616 -4.551221 ESP Fit Center 8300 is at 1.382387 .230170 -4.778861 ESP Fit Center 8301 is at 1.310055 .640385 -4.778861 ESP Fit Center 8302 is at 1.101784 1.001121 -4.778861 ESP Fit Center 8303 is at .782693 1.268870 -4.778861 ESP Fit Center 8304 is at .391271 1.411336 -4.778861 ESP Fit Center 8305 is at -.025272 1.411336 -4.778861 ESP Fit Center 8306 is at .391271 -.950996 -4.778861 ESP Fit Center 8307 is at .782693 -.808530 -4.778861 ESP Fit Center 8308 is at 1.101784 -.540781 -4.778861 ESP Fit Center 8309 is at 1.310055 -.180045 -4.778861 ESP Fit Center 8310 is at 1.001242 .230170 -4.946047 ESP Fit Center 8311 is at .891619 .639291 -4.946047 ESP Fit Center 8312 is at .592121 .938789 -4.946047 ESP Fit Center 8313 is at .183000 1.048413 -4.946047 ESP Fit Center 8314 is at .592121 -.478449 -4.946047 ESP Fit Center 8315 is at .891619 -.178951 -4.946047 ESP Fit Center 8316 is at .597778 .230170 -5.048218 ESP Fit Center 8317 is at .390389 .589378 -5.048218 ESP Fit Center 8318 is at .390389 -.129039 -5.048218 ESP Fit Center 8319 is at .183000 .230170 -5.082587 ESP Fit Center 8320 is at -2.723960 -1.946138 -3.826472 ESP Fit Center 8321 is at -2.380453 -2.186663 -3.826472 ESP Fit Center 8322 is at -2.000398 -2.363886 -3.826472 ESP Fit Center 8323 is at -1.595343 -2.472420 -3.826472 ESP Fit Center 8324 is at -1.177594 -2.508969 -3.826472 ESP Fit Center 8325 is at -.759846 -2.472420 -3.826472 ESP Fit Center 8326 is at -.354791 -2.363886 -3.826472 ESP Fit Center 8327 is at -1.488459 -2.265363 -4.187718 ESP Fit Center 8328 is at -1.073659 -2.285123 -4.187718 ESP Fit Center 8329 is at -.662615 -2.226023 -4.187718 ESP Fit Center 8330 is at -.270184 -2.090202 -4.187718 ESP Fit Center 8331 is at -.752760 1.758070 -4.509886 ESP Fit Center 8332 is at -1.177594 1.805937 -4.509886 ESP Fit Center 8333 is at -.349229 -1.823370 -4.509886 ESP Fit Center 8334 is at .012765 -1.595914 -4.509886 ESP Fit Center 8335 is at -2.625987 2.042273 -4.342530 ESP Fit Center 8336 is at -2.013100 1.815067 -4.504665 ESP Fit Center 8337 is at -2.430273 1.703286 -4.504665 ESP Fit Center 8338 is at -1.974074 1.075581 2.294215 ESP Fit Center 8339 is at -2.185261 .709795 2.260973 ESP Fit Center 8340 is at -1.762888 .709795 2.260973 ESP Fit Center 8341 is at -2.397958 2.488154 2.292869 ESP Fit Center 8342 is at -6.084415 .664015 -3.107901 ESP Fit Center 8343 is at -5.756038 .678098 -3.383059 ESP Fit Center 8344 is at -5.597494 .295339 -3.383059 ESP Fit Center 8345 is at -4.030112 -.872075 1.666323 ESP Fit Center 8346 is at -3.594710 -.877673 1.444951 ESP Fit Center 8347 is at -6.689229 .744203 -2.648583 ESP Fit Center 8348 is at -6.830430 .340671 -2.648583 ESP Fit Center 8349 is at -6.878298 -.084163 -2.648583 ESP Fit Center 8350 is at -6.830430 -.508997 -2.648583 ESP Fit Center 8351 is at -6.343509 .709347 -2.923741 ESP Fit Center 8352 is at -6.502053 .326588 -2.923741 ESP Fit Center 8353 is at -6.556130 -.084163 -2.923741 ESP Fit Center 8354 is at -6.502053 -.494914 -2.923741 ESP Fit Center 8355 is at -6.120961 .335077 -3.145112 ESP Fit Center 8356 is at -6.194884 -.084163 -3.145112 ESP Fit Center 8357 is at -6.120961 -.503402 -3.145112 ESP Fit Center 8358 is at -5.803455 -.084163 -3.307247 ESP Fit Center 8359 is at -5.691674 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Fit Center 9346 is at .969860 -4.373108 -2.113822 ESP Fit Center 9347 is at 1.394063 -4.335995 -2.113822 ESP Fit Center 9348 is at 1.805377 -4.225784 -2.113822 ESP Fit Center 9349 is at 2.191304 -4.045823 -2.113822 ESP Fit Center 9350 is at 2.540118 -3.801580 -2.113822 ESP Fit Center 9351 is at -.735587 -3.484939 -2.507471 ESP Fit Center 9352 is at -.420870 -3.771842 -2.507471 ESP Fit Center 9353 is at -.058793 -3.996031 -2.507471 ESP Fit Center 9354 is at .338314 -4.149871 -2.507471 ESP Fit Center 9355 is at .756927 -4.228123 -2.507471 ESP Fit Center 9356 is at 1.182792 -4.228123 -2.507471 ESP Fit Center 9357 is at 1.601405 -4.149871 -2.507471 ESP Fit Center 9358 is at 1.998512 -3.996031 -2.507471 ESP Fit Center 9359 is at 2.360589 -3.771842 -2.507471 ESP Fit Center 9360 is at 2.675306 -3.484939 -2.507471 ESP Fit Center 9361 is at 2.931947 -3.145092 -2.507471 ESP Fit Center 9362 is at -.630862 -3.304393 -2.873508 ESP Fit Center 9363 is at -.321476 -3.598487 -2.873508 ESP Fit Center 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.077264 -3.194738 -3.483833 ESP Fit Center 9383 is at .451528 -3.388666 -3.483833 ESP Fit Center 9384 is at .864233 -3.474427 -3.483833 ESP Fit Center 9385 is at 1.284772 -3.445661 -3.483833 ESP Fit Center 9386 is at 1.681956 -3.304502 -3.483833 ESP Fit Center 9387 is at 2.026326 -3.061419 -3.483833 ESP Fit Center 9388 is at .051075 -2.701170 -3.711472 ESP Fit Center 9389 is at .370166 -2.968919 -3.711472 ESP Fit Center 9390 is at .761588 -3.111385 -3.711472 ESP Fit Center 9391 is at 1.178131 -3.111385 -3.711472 ESP Fit Center 9392 is at 1.569553 -2.968919 -3.711472 ESP Fit Center 9393 is at .560738 -2.638838 -3.878658 ESP Fit Center 9394 is at .969860 -2.748462 -3.878658 ESP Fit Center 9395 is at 7.244930 .322761 1.848596 ESP Fit Center 9396 is at 7.134187 .736059 1.848596 ESP Fit Center 9397 is at 6.831631 1.038614 1.848596 ESP Fit Center 9398 is at 6.418333 1.149357 1.848596 ESP Fit Center 9399 is at 7.618365 .322761 1.648990 ESP Fit Center 9400 is at 7.545994 .733196 1.648990 ESP Fit Center 9401 is at 7.337611 1.094126 1.648990 ESP Fit Center 9402 is at 7.018349 1.362018 1.648990 ESP Fit Center 9403 is at 6.626717 1.504561 1.648990 ESP Fit Center 9404 is at 6.209950 1.504561 1.648990 ESP Fit Center 9405 is at 7.545994 -.087675 1.648990 ESP Fit Center 9406 is at 7.945684 .322761 1.380366 ESP Fit Center 9407 is at 7.889046 .734835 1.380366 ESP Fit Center 9408 is at 7.723331 1.116347 1.380366 ESP Fit Center 9409 is at 7.460831 1.439003 1.380366 ESP Fit Center 9410 is at 7.121014 1.678873 1.380366 ESP Fit Center 9411 is at 6.729082 1.818165 1.380366 ESP Fit Center 9412 is at 6.314103 1.846551 1.380366 ESP Fit Center 9413 is at 5.906855 1.761923 1.380366 ESP Fit Center 9414 is at 7.889046 -.089314 1.380366 ESP Fit Center 9415 is at 8.214308 .322761 1.053047 ESP Fit Center 9416 is at 8.165897 .736941 1.053047 ESP Fit Center 9417 is at 8.023275 1.128792 1.053047 ESP Fit Center 9418 is at 7.794130 1.477191 1.053047 ESP Fit Center 9419 is at 7.490815 1.763353 1.053047 ESP Fit Center 9420 is at 7.129682 1.971853 1.053047 ESP Fit Center 9421 is at 6.730201 2.091450 1.053047 ESP Fit Center 9422 is at 6.313907 2.115696 1.053047 ESP Fit Center 9423 is at 5.903242 2.043285 1.053047 ESP Fit Center 9424 is at 8.165897 -.091420 1.053047 ESP Fit Center 9425 is at 8.413913 .322761 .679612 ESP Fit Center 9426 is at 8.370305 .737665 .679612 ESP Fit Center 9427 is at 8.241386 1.134436 .679612 ESP Fit Center 9428 is at 8.032791 1.495733 .679612 ESP Fit Center 9429 is at 7.753637 1.805765 .679612 ESP Fit Center 9430 is at 7.416123 2.050983 .679612 ESP Fit Center 9431 is at 7.035001 2.220670 .679612 ESP Fit Center 9432 is at 6.626928 2.307408 .679612 ESP Fit Center 9433 is at 6.209738 2.307408 .679612 ESP Fit Center 9434 is at 5.801665 2.220670 .679612 ESP Fit Center 9435 is at 8.241386 -.488915 .679612 ESP Fit Center 9436 is at 8.370305 -.092144 .679612 ESP Fit Center 9437 is at 8.536830 .322761 .274411 ESP Fit Center 9438 is at 8.496123 .736059 .274411 ESP Fit Center 9439 is at 8.375569 1.133474 .274411 ESP Fit Center 9440 is at 8.179799 1.499734 .274411 ESP Fit Center 9441 is at 7.916336 1.820764 .274411 ESP Fit Center 9442 is at 7.595307 2.084226 .274411 ESP Fit Center 9443 is at 7.229047 2.279996 .274411 ESP Fit Center 9444 is at 6.831631 2.400550 .274411 ESP Fit Center 9445 is at 6.418333 2.441257 .274411 ESP Fit Center 9446 is at 6.005035 2.400550 .274411 ESP Fit Center 9447 is at 8.375569 -.487953 .274411 ESP Fit Center 9448 is at 8.496123 -.090538 .274411 ESP Fit Center 9449 is at 8.578333 .322761 -.146984 ESP Fit Center 9450 is at 8.539299 .731543 -.146984 ESP Fit Center 9451 is at 8.423608 1.125551 -.146984 ESP Fit Center 9452 is at 8.235441 1.490545 -.146984 ESP Fit Center 9453 is at 7.981599 1.813331 -.146984 ESP Fit Center 9454 is at 7.671256 2.082245 -.146984 ESP Fit Center 9455 is at 7.315630 2.287566 -.146984 ESP Fit Center 9456 is at 6.927573 2.421873 -.146984 ESP Fit Center 9457 is at 6.521110 2.480314 -.146984 ESP Fit Center 9458 is at 6.110933 2.460775 -.146984 ESP Fit Center 9459 is at 8.423608 -.480030 -.146984 ESP Fit Center 9460 is at 8.539299 -.086022 -.146984 ESP Fit Center 9461 is at 8.536830 .322761 -.568379 ESP Fit Center 9462 is at 8.496123 .736059 -.568379 ESP Fit Center 9463 is at 8.375569 1.133474 -.568379 ESP Fit Center 9464 is at 8.179799 1.499734 -.568379 ESP Fit Center 9465 is at 7.916336 1.820764 -.568379 ESP Fit Center 9466 is at 7.595307 2.084226 -.568379 ESP Fit Center 9467 is at 7.229047 2.279996 -.568379 ESP Fit Center 9468 is at 6.831631 2.400550 -.568379 ESP Fit Center 9469 is at 6.418333 2.441257 -.568379 ESP Fit Center 9470 is at 8.375569 -.487953 -.568379 ESP Fit Center 9471 is at 8.496123 -.090538 -.568379 ESP Fit Center 9472 is at 8.413913 .322761 -.973580 ESP Fit Center 9473 is at 8.370305 .737665 -.973580 ESP Fit Center 9474 is at 8.241386 1.134436 -.973580 ESP Fit Center 9475 is at 8.032791 1.495733 -.973580 ESP Fit Center 9476 is at 7.753637 1.805765 -.973580 ESP Fit Center 9477 is at 7.416123 2.050983 -.973580 ESP Fit Center 9478 is at 7.035001 2.220670 -.973580 ESP Fit Center 9479 is at 6.626928 2.307408 -.973580 ESP Fit Center 9480 is at 8.370305 -.092144 -.973580 ESP Fit Center 9481 is at 8.214308 .322761 -1.347016 ESP Fit Center 9482 is at 8.165897 .736941 -1.347016 ESP Fit Center 9483 is at 8.023275 1.128792 -1.347016 ESP Fit Center 9484 is at 7.794130 1.477191 -1.347016 ESP Fit Center 9485 is at 7.490815 1.763353 -1.347016 ESP Fit Center 9486 is at 7.129682 1.971853 -1.347016 ESP Fit Center 9487 is at 7.889046 .734835 -1.674335 ESP Fit Center 9488 is at 7.723331 1.116347 -1.674335 ESP Fit Center 9489 is at 7.460831 1.439003 -1.674335 ESP Fit Center 9490 is at 7.121014 1.678873 -1.674335 ESP Fit Center 9491 is at 7.234423 -2.437665 -1.518922 ESP Fit Center 9492 is at 7.544766 -2.168752 -1.518922 ESP Fit Center 9493 is at 7.798608 -1.845966 -1.518922 ESP Fit Center 9494 is at 7.986775 -1.480972 -1.518922 ESP Fit Center 9495 is at 8.102466 -1.086964 -1.518922 ESP Fit Center 9496 is at 8.099996 -.678181 -1.940317 ESP Fit Center 9497 is at 8.059290 -.264883 -1.940317 ESP Fit Center 9498 is at 7.938735 .132532 -1.940317 ESP Fit Center 9499 is at 6.792214 -2.635417 -1.940317 ESP Fit Center 9500 is at 7.158474 -2.439647 -1.940317 ESP Fit Center 9501 is at 7.479503 -2.176184 -1.940317 ESP Fit Center 9502 is at 7.742965 -1.855155 -1.940317 ESP Fit Center 9503 is at 7.938735 -1.488895 -1.940317 ESP Fit Center 9504 is at 8.059290 -1.091479 -1.940317 ESP Fit Center 9505 is at 7.977080 -.678181 -2.345518 ESP Fit Center 9506 is at 7.933472 -.263277 -2.345518 ESP Fit Center 9507 is at 7.804553 .133494 -2.345518 ESP Fit Center 9508 is at 7.595958 .494791 -2.345518 ESP Fit Center 9509 is at 7.316804 .804823 -2.345518 ESP Fit Center 9510 is at 6.598168 -2.576091 -2.345518 ESP Fit Center 9511 is at 6.979290 -2.406404 -2.345518 ESP Fit Center 9512 is at 7.316804 -2.161186 -2.345518 ESP Fit Center 9513 is at 7.595958 -1.851154 -2.345518 ESP Fit Center 9514 is at 7.804553 -1.489857 -2.345518 ESP Fit Center 9515 is at 7.933472 -1.093086 -2.345518 ESP Fit Center 9516 is at 7.777475 -.678181 -2.718953 ESP Fit Center 9517 is at 7.729064 -.264001 -2.718953 ESP Fit Center 9518 is at 7.586441 .127850 -2.718953 ESP Fit Center 9519 is at 7.357296 .476249 -2.718953 ESP Fit Center 9520 is at 6.293368 -2.446871 -2.718953 ESP Fit Center 9521 is at 6.692849 -2.327274 -2.718953 ESP Fit Center 9522 is at 7.053982 -2.118774 -2.718953 ESP Fit Center 9523 is at 7.357296 -1.832611 -2.718953 ESP Fit Center 9524 is at 7.586441 -1.484213 -2.718953 ESP Fit Center 9525 is at 7.729064 -1.092362 -2.718953 ESP Fit Center 9526 is at 7.508851 -.678181 -3.046272 ESP Fit Center 9527 is at 7.452212 -.266107 -3.046272 ESP Fit Center 9528 is at 7.286498 .115406 -3.046272 ESP Fit Center 9529 is at 5.100707 -1.925981 -3.046272 ESP Fit Center 9530 is at 5.470022 -2.117344 -3.046272 ESP Fit Center 9531 is at 5.877270 -2.201971 -3.046272 ESP Fit Center 9532 is at 6.292249 -2.173586 -3.046272 ESP Fit Center 9533 is at 6.684181 -2.034293 -3.046272 ESP Fit Center 9534 is at 7.023998 -1.794424 -3.046272 ESP Fit Center 9535 is at 7.286498 -1.471768 -3.046272 ESP Fit Center 9536 is at 7.452212 -1.090256 -3.046272 ESP Fit Center 9537 is at 7.181532 -.678181 -3.314896 ESP Fit Center 9538 is at 7.109161 -.267746 -3.314896 ESP Fit Center 9539 is at 5.381484 -1.717439 -3.314896 ESP Fit Center 9540 is at 5.773117 -1.859982 -3.314896 ESP Fit Center 9541 is at 6.189883 -1.859982 -3.314896 ESP Fit Center 9542 is at 6.581516 -1.717439 -3.314896 ESP Fit Center 9543 is at 6.900778 -1.449547 -3.314896 ESP Fit Center 9544 is at 7.109161 -1.088616 -3.314896 ESP Fit Center 9545 is at 6.808096 -.678181 -3.514502 ESP Fit Center 9546 is at 5.981500 -1.504778 -3.514502 ESP Fit Center 9547 is at 6.394798 -1.394035 -3.514502 ESP Fit Center 9548 is at 6.697353 -1.091479 -3.514502 ESP Fit Center 9549 is at 7.378304 -1.924683 2.600420 ESP Fit Center 9550 is at 6.965006 -2.640536 2.600420 ESP Fit Center 9551 is at 7.267562 -2.337981 2.600420 ESP Fit Center 9552 is at 7.751740 -1.924683 2.400815 ESP Fit Center 9553 is at 7.679369 -1.514248 2.400815 ESP Fit Center 9554 is at 7.470986 -1.153318 2.400815 ESP Fit Center 9555 is at 6.760092 -3.106484 2.400815 ESP Fit Center 9556 is at 7.151724 -2.963941 2.400815 ESP Fit Center 9557 is at 7.470986 -2.696049 2.400815 ESP Fit Center 9558 is at 7.679369 -2.335118 2.400815 ESP Fit Center 9559 is at 8.079059 -1.924683 2.132191 ESP Fit Center 9560 is at 8.022421 -1.512609 2.132191 ESP Fit Center 9561 is at 7.856706 -1.131096 2.132191 ESP Fit Center 9562 is at 7.594206 -.808440 2.132191 ESP Fit Center 9563 is at 7.254389 -3.280795 2.132191 ESP Fit Center 9564 is at 7.594206 -3.040926 2.132191 ESP Fit Center 9565 is at 7.856706 -2.718270 2.132191 ESP Fit Center 9566 is at 8.022421 -2.336757 2.132191 ESP Fit Center 9567 is at 8.347683 -1.924683 1.804872 ESP Fit Center 9568 is at 8.299272 -1.510503 1.804872 ESP Fit Center 9569 is at 8.156650 -1.118651 1.804872 ESP Fit Center 9570 is at 7.927504 -.770253 1.804872 ESP Fit Center 9571 is at 7.624190 -.484090 1.804872 ESP Fit Center 9572 is at 7.263057 -3.573776 1.804872 ESP Fit Center 9573 is at 7.624190 -3.365276 1.804872 ESP Fit Center 9574 is at 7.927504 -3.079113 1.804872 ESP Fit Center 9575 is at 8.156650 -2.730715 1.804872 ESP Fit Center 9576 is at 8.299272 -2.338863 1.804872 ESP Fit Center 9577 is at 8.547288 -1.924683 1.431436 ESP Fit Center 9578 is at 8.503680 -1.509779 1.431436 ESP Fit Center 9579 is at 8.374761 -1.113008 1.431436 ESP Fit Center 9580 is at 8.166166 -.751711 1.431436 ESP Fit Center 9581 is at 7.887012 -.441678 1.431436 ESP Fit Center 9582 is at 7.549498 -3.652906 1.431436 ESP Fit Center 9583 is at 7.887012 -3.407688 1.431436 ESP Fit Center 9584 is at 8.166166 -3.097655 1.431436 ESP Fit Center 9585 is at 8.374761 -2.736358 1.431436 ESP Fit Center 9586 is at 8.503680 -2.339587 1.431436 ESP Fit Center 9587 is at 8.670204 -1.924683 1.026235 ESP Fit Center 9588 is at 8.629498 -1.511385 1.026235 ESP Fit Center 9589 is at 8.508944 -1.113970 1.026235 ESP Fit Center 9590 is at 8.313173 -.747710 1.026235 ESP Fit Center 9591 is at 7.728682 -3.686148 1.026235 ESP Fit Center 9592 is at 8.049711 -3.422686 1.026235 ESP Fit Center 9593 is at 8.313173 -3.101656 1.026235 ESP Fit Center 9594 is at 8.508944 -2.735396 1.026235 ESP Fit Center 9595 is at 8.629498 -2.337981 1.026235 ESP Fit Center 9596 is at 8.711708 -1.924683 .604840 ESP Fit Center 9597 is at 8.672674 -1.515900 .604840 ESP Fit Center 9598 is at 8.556983 -1.121892 .604840 ESP Fit Center 9599 is at 8.368816 -.756899 .604840 ESP Fit Center 9600 is at 7.804631 -3.684167 .604840 ESP Fit Center 9601 is at 8.114974 -3.415254 .604840 ESP Fit Center 9602 is at 8.368816 -3.092467 .604840 ESP Fit Center 9603 is at 8.556983 -2.727474 .604840 ESP Fit Center 9604 is at 8.672674 -2.333466 .604840 ESP Fit Center 9605 is at 8.670204 -1.924683 .183445 ESP Fit Center 9606 is at 8.629498 -1.511385 .183445 ESP Fit Center 9607 is at 8.508944 -1.113970 .183445 ESP Fit Center 9608 is at 8.313173 -.747710 .183445 ESP Fit Center 9609 is at 8.049711 -3.422686 .183445 ESP Fit Center 9610 is at 8.313173 -3.101656 .183445 ESP Fit Center 9611 is at 8.508944 -2.735396 .183445 ESP Fit Center 9612 is at 8.629498 -2.337981 .183445 ESP Fit Center 9613 is at 8.547288 -1.924683 -.221756 ESP Fit Center 9614 is at 8.503680 -1.509779 -.221756 ESP Fit Center 9615 is at 8.374761 -1.113008 -.221756 ESP Fit Center 9616 is at 7.887012 -3.407688 -.221756 ESP Fit Center 9617 is at 8.166166 -3.097655 -.221756 ESP Fit Center 9618 is at 8.374761 -2.736358 -.221756 ESP Fit Center 9619 is at 8.503680 -2.339587 -.221756 ESP Fit Center 9620 is at 8.347683 -1.924683 -.595192 ESP Fit Center 9621 is at 8.299272 -1.510503 -.595192 ESP Fit Center 9622 is at 7.624190 -3.365276 -.595192 ESP Fit Center 9623 is at 7.927504 -3.079113 -.595192 ESP Fit Center 9624 is at 8.156650 -2.730715 -.595192 ESP Fit Center 9625 is at 8.299272 -2.338863 -.595192 ESP Fit Center 9626 is at 8.079059 -1.924683 -.922510 ESP Fit Center 9627 is at 7.594206 -3.040926 -.922510 ESP Fit Center 9628 is at 7.856706 -2.718270 -.922510 ESP Fit Center 9629 is at 8.022421 -2.336757 -.922510 ESP Fit Center 9630 is at 7.470986 -2.696049 -1.191134 ESP Fit Center 9631 is at 7.679369 -2.335118 -1.191134 ESP Fit Center 9632 is at 6.596224 -2.798028 -1.953172 ESP Fit Center 9633 is at 2.986186 -3.971001 -1.953172 ESP Fit Center 9634 is at 3.265340 -4.281033 -1.953172 ESP Fit Center 9635 is at 3.602854 -4.526251 -1.953172 ESP Fit Center 9636 is at 3.983976 -4.695937 -1.953172 ESP Fit Center 9637 is at 4.392049 -4.782676 -1.953172 ESP Fit Center 9638 is at 4.809239 -4.782676 -1.953172 ESP Fit Center 9639 is at 5.217312 -4.695937 -1.953172 ESP Fit Center 9640 is at 6.423697 -3.609704 -1.953172 ESP Fit Center 9641 is at 6.552615 -3.212933 -1.953172 ESP Fit Center 9642 is at 6.396618 -2.798028 -2.326607 ESP Fit Center 9643 is at 2.912980 -3.412288 -2.326607 ESP Fit Center 9644 is at 3.100129 -3.784932 -2.326607 ESP Fit Center 9645 is at 3.368171 -4.104373 -2.326607 ESP Fit Center 9646 is at 3.702657 -4.353388 -2.326607 ESP Fit Center 9647 is at 4.085553 -4.518553 -2.326607 ESP Fit Center 9648 is at 4.496217 -4.590964 -2.326607 ESP Fit Center 9649 is at 4.912512 -4.566718 -2.326607 ESP Fit Center 9650 is at 5.311993 -4.447121 -2.326607 ESP Fit Center 9651 is at 5.673125 -4.238621 -2.326607 ESP Fit Center 9652 is at 5.976440 -3.952458 -2.326607 ESP Fit Center 9653 is at 6.205585 -3.604060 -2.326607 ESP Fit Center 9654 is at 6.348208 -3.212208 -2.326607 ESP Fit Center 9655 is at 6.127995 -2.798028 -2.653926 ESP Fit Center 9656 is at 3.087519 -3.006002 -2.653926 ESP Fit Center 9657 is at 3.199741 -3.406526 -2.653926 ESP Fit Center 9658 is at 3.415861 -3.761921 -2.653926 ESP Fit Center 9659 is at 3.719851 -4.045828 -2.653926 ESP Fit Center 9660 is at 4.089165 -4.237191 -2.653926 ESP Fit Center 9661 is at 4.496414 -4.321818 -2.653926 ESP Fit Center 9662 is at 4.911393 -4.293433 -2.653926 ESP Fit Center 9663 is at 5.303324 -4.154140 -2.653926 ESP Fit Center 9664 is at 5.643142 -3.914271 -2.653926 ESP Fit Center 9665 is at 5.905642 -3.591615 -2.653926 ESP Fit Center 9666 is at 6.071356 -3.210102 -2.653926 ESP Fit Center 9667 is at 5.800676 -2.798028 -2.922550 ESP Fit Center 9668 is at 5.728305 -2.387593 -2.922550 ESP Fit Center 9669 is at 3.400612 -2.798028 -2.922550 ESP Fit Center 9670 is at 3.472983 -3.208463 -2.922550 ESP Fit Center 9671 is at 3.681366 -3.569394 -2.922550 ESP Fit Center 9672 is at 4.000628 -3.837286 -2.922550 ESP Fit Center 9673 is at 4.392261 -3.979829 -2.922550 ESP Fit Center 9674 is at 4.809027 -3.979829 -2.922550 ESP Fit Center 9675 is at 5.200660 -3.837286 -2.922550 ESP Fit Center 9676 is at 5.519921 -3.569394 -2.922550 ESP Fit Center 9677 is at 5.728305 -3.208463 -2.922550 ESP Fit Center 9678 is at 5.427240 -2.798028 -3.122155 ESP Fit Center 9679 is at 5.316497 -2.384730 -3.122155 ESP Fit Center 9680 is at 5.013942 -2.082175 -3.122155 ESP Fit Center 9681 is at 4.187346 -2.082175 -3.122155 ESP Fit Center 9682 is at 3.884791 -2.384730 -3.122155 ESP Fit Center 9683 is at 3.774048 -2.798028 -3.122155 ESP Fit Center 9684 is at 3.884791 -3.211326 -3.122155 ESP Fit Center 9685 is at 4.187346 -3.513882 -3.122155 ESP Fit Center 9686 is at 4.600644 -3.624624 -3.122155 ESP Fit Center 9687 is at 5.013942 -3.513882 -3.122155 ESP Fit Center 9688 is at 5.316497 -3.211326 -3.122155 ESP Fit Center 9689 is at 5.022039 -2.798028 -3.245072 ESP Fit Center 9690 is at 4.811341 -2.433089 -3.245072 ESP Fit Center 9691 is at 4.389946 -2.433089 -3.245072 ESP Fit Center 9692 is at 4.179249 -2.798028 -3.245072 ESP Fit Center 9693 is at 4.389946 -3.162967 -3.245072 ESP Fit Center 9694 is at 4.811341 -3.162967 -3.245072 ESP Fit Center 9695 is at 4.600644 -2.798028 -3.286576 ESP Fit Center 9696 is at 3.748694 -2.396025 4.800064 ESP Fit Center 9697 is at 4.170089 -2.396025 4.758560 ESP Fit Center 9698 is at 3.959392 -2.031086 4.758560 ESP Fit Center 9699 is at 3.537997 -2.031086 4.758560 ESP Fit Center 9700 is at 3.327299 -2.396025 4.758560 ESP Fit Center 9701 is at 3.537997 -2.760964 4.758560 ESP Fit Center 9702 is at 3.959392 -2.760964 4.758560 ESP Fit Center 9703 is at 4.575290 -2.396025 4.635643 ESP Fit Center 9704 is at 4.464548 -1.982727 4.635643 ESP Fit Center 9705 is at 4.161992 -1.680172 4.635643 ESP Fit Center 9706 is at 3.032841 -2.809323 4.635643 ESP Fit Center 9707 is at 3.335396 -3.111879 4.635643 ESP Fit Center 9708 is at 3.748694 -3.222622 4.635643 ESP Fit Center 9709 is at 4.161992 -3.111879 4.635643 ESP Fit Center 9710 is at 4.464548 -2.809323 4.635643 ESP Fit Center 9711 is at 4.948726 -2.396025 4.436038 ESP Fit Center 9712 is at 4.876355 -1.985590 4.436038 ESP Fit Center 9713 is at 4.667972 -1.624660 4.436038 ESP Fit Center 9714 is at 3.148678 -3.435283 4.436038 ESP Fit Center 9715 is at 3.540311 -3.577826 4.436038 ESP Fit Center 9716 is at 3.957078 -3.577826 4.436038 ESP Fit Center 9717 is at 4.348710 -3.435283 4.436038 ESP Fit Center 9718 is at 4.667972 -3.167391 4.436038 ESP Fit Center 9719 is at 4.876355 -2.806460 4.436038 ESP Fit Center 9720 is at 5.276045 -2.396025 4.167414 ESP Fit Center 9721 is at 5.219407 -1.983951 4.167414 ESP Fit Center 9722 is at 2.867901 -3.643825 4.167414 ESP Fit Center 9723 is at 3.237216 -3.835188 4.167414 ESP Fit Center 9724 is at 3.644464 -3.919815 4.167414 ESP Fit Center 9725 is at 4.059443 -3.891430 4.167414 ESP Fit Center 9726 is at 4.451375 -3.752137 4.167414 ESP Fit Center 9727 is at 4.791192 -3.512268 4.167414 ESP Fit Center 9728 is at 5.053692 -3.189612 4.167414 ESP Fit Center 9729 is at 5.219407 -2.808100 4.167414 ESP Fit Center 9730 is at 5.544669 -2.396025 3.840095 ESP Fit Center 9731 is at 2.850707 -3.951385 3.840095 ESP Fit Center 9732 is at 3.233603 -4.116550 3.840095 ESP Fit Center 9733 is at 3.644268 -4.188961 3.840095 ESP Fit Center 9734 is at 4.060562 -4.164715 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is at 3.748694 -4.514522 3.061459 ESP Fit Center 9754 is at 4.161992 -4.473815 3.061459 ESP Fit Center 9755 is at 4.559408 -4.353261 3.061459 ESP Fit Center 9756 is at 5.510159 -3.572999 3.061459 ESP Fit Center 9757 is at 5.705930 -3.206739 3.061459 ESP Fit Center 9758 is at 3.441294 -4.534040 2.640064 ESP Fit Center 9759 is at .874742 -2.456633 5.082262 ESP Fit Center 9760 is at 1.177297 -2.759188 5.082262 ESP Fit Center 9761 is at 1.590595 -2.869931 5.082262 ESP Fit Center 9762 is at 2.003893 -2.759188 5.082262 ESP Fit Center 9763 is at .462934 -2.453770 4.882656 ESP Fit Center 9764 is at .671318 -2.814700 4.882656 ESP Fit Center 9765 is at .990579 -3.082593 4.882656 ESP Fit Center 9766 is at 1.382212 -3.225135 4.882656 ESP Fit Center 9767 is at 1.798978 -3.225135 4.882656 ESP Fit Center 9768 is at 2.190611 -3.082593 4.882656 ESP Fit Center 9769 is at 2.509873 -2.814700 4.882656 ESP Fit Center 9770 is at .189692 -2.651833 4.614033 ESP Fit Center 9771 is at .405812 -3.007227 4.614033 ESP Fit Center 9772 is at .709802 -3.291134 4.614033 ESP Fit Center 9773 is at 1.079117 -3.482498 4.614033 ESP Fit Center 9774 is at 1.486365 -3.567125 4.614033 ESP Fit Center 9775 is at 1.901344 -3.538739 4.614033 ESP Fit Center 9776 is at 2.293276 -3.399447 4.614033 ESP Fit Center 9777 is at 2.633093 -3.159578 4.614033 ESP Fit Center 9778 is at 2.895593 -2.836922 4.614033 ESP Fit Center 9779 is at -.097069 -2.657594 4.286714 ESP Fit Center 9780 is at .090080 -3.030239 4.286714 ESP Fit Center 9781 is at .358123 -3.349679 4.286714 ESP Fit Center 9782 is at .692608 -3.598694 4.286714 ESP Fit Center 9783 is at 1.075504 -3.763859 4.286714 ESP Fit Center 9784 is at 1.486169 -3.836271 4.286714 ESP Fit Center 9785 is at 1.902463 -3.812024 4.286714 ESP Fit Center 9786 is at 2.301944 -3.692427 4.286714 ESP Fit Center 9787 is at 2.663077 -3.483927 4.286714 ESP Fit Center 9788 is at -.232458 -2.855010 3.913278 ESP Fit Center 9789 is at -.023863 -3.216307 3.913278 ESP Fit Center 9790 is at 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Fit Center 9809 is at .176096 -3.675754 3.086682 ESP Fit Center 9810 is at .510595 -3.913950 3.086682 ESP Fit Center 9811 is at .884128 -4.084537 3.086682 ESP Fit Center 9812 is at 1.283195 -4.181349 3.086682 ESP Fit Center 9813 is at 1.693372 -4.200888 3.086682 ESP Fit Center 9814 is at 2.099834 -4.142448 3.086682 ESP Fit Center 9815 is at -.366640 -2.854048 2.665287 ESP Fit Center 9816 is at -.170870 -3.220308 2.665287 ESP Fit Center 9817 is at .092592 -3.541338 2.665287 ESP Fit Center 9818 is at .413622 -3.804800 2.665287 ESP Fit Center 9819 is at .779882 -4.000570 2.665287 ESP Fit Center 9820 is at -.232458 -2.855010 2.260086 ESP Fit Center 9821 is at -.023863 -3.216307 2.260086 ESP Fit Center 9822 is at .255292 -3.526340 2.260086 ESP Fit Center 9823 is at .090080 -3.030239 1.886650 ESP Fit Center 9824 is at -.128282 -.430926 6.017246 ESP Fit Center 9825 is at .082416 -.065987 5.975743 ESP Fit Center 9826 is at -.338979 -.065987 5.975743 ESP Fit Center 9827 is at -.549677 -.430926 5.975743 ESP Fit Center 9828 is at -.338979 -.795865 5.975743 ESP Fit Center 9829 is at .082416 -.795865 5.975743 ESP Fit Center 9830 is at -.541580 .284928 5.852826 ESP Fit Center 9831 is at -.844135 -.017628 5.852826 ESP Fit Center 9832 is at -.954878 -.430926 5.852826 ESP Fit Center 9833 is at -.844135 -.844224 5.852826 ESP Fit Center 9834 is at -.541580 -1.146779 5.852826 ESP Fit Center 9835 is at -.128282 -1.257522 5.852826 ESP Fit Center 9836 is at .285016 -1.146779 5.852826 ESP Fit Center 9837 is at -.728298 .608332 5.653221 ESP Fit Center 9838 is at -1.047560 .340440 5.653221 ESP Fit Center 9839 is at -1.255943 -.020491 5.653221 ESP Fit Center 9840 is at -1.328314 -.430926 5.653221 ESP Fit Center 9841 is at -1.255943 -.841361 5.653221 ESP Fit Center 9842 is at -1.047560 -1.202291 5.653221 ESP Fit Center 9843 is at -.728298 -1.470184 5.653221 ESP Fit Center 9844 is at -.336665 -1.612726 5.653221 ESP Fit Center 9845 is at .080101 -1.612726 5.653221 ESP Fit Center 9846 is at 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ESP Fit Center 9865 is at -1.360754 -1.737270 5.057278 ESP Fit Center 9866 is at -1.026269 -1.986285 5.057278 ESP Fit Center 9867 is at -.643373 -2.151450 5.057278 ESP Fit Center 9868 is at -.232709 -2.223862 5.057278 ESP Fit Center 9869 is at .183586 -2.199615 5.057278 ESP Fit Center 9870 is at -1.463585 1.052079 4.683843 ESP Fit Center 9871 is at -1.742740 .742047 4.683843 ESP Fit Center 9872 is at -1.951335 .380750 4.683843 ESP Fit Center 9873 is at -2.080254 -.016021 4.683843 ESP Fit Center 9874 is at -2.123862 -.430926 4.683843 ESP Fit Center 9875 is at -2.080254 -.845830 4.683843 ESP Fit Center 9876 is at -1.951335 -1.242601 4.683843 ESP Fit Center 9877 is at -1.742740 -1.603898 4.683843 ESP Fit Center 9878 is at -1.463585 -1.913931 4.683843 ESP Fit Center 9879 is at -1.126072 -2.159149 4.683843 ESP Fit Center 9880 is at -.744950 -2.328835 4.683843 ESP Fit Center 9881 is at -.336877 -2.415574 4.683843 ESP Fit Center 9882 is at .080313 -2.415574 4.683843 ESP Fit Center 9883 is at 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ESP Fit Center 9902 is at -1.826157 -1.766149 3.857246 ESP Fit Center 9903 is at -1.542781 -2.063345 3.857246 ESP Fit Center 9904 is at -1.208282 -2.301541 3.857246 ESP Fit Center 9905 is at -.834749 -2.472127 3.857246 ESP Fit Center 9906 is at -.435682 -2.568940 3.857246 ESP Fit Center 9907 is at -1.889747 .746048 3.435851 ESP Fit Center 9908 is at -2.085517 .379788 3.435851 ESP Fit Center 9909 is at -2.206072 -.017628 3.435851 ESP Fit Center 9910 is at -2.246778 -.430926 3.435851 ESP Fit Center 9911 is at -2.206072 -.844224 3.435851 ESP Fit Center 9912 is at -2.085517 -1.241639 3.435851 ESP Fit Center 9913 is at -1.889747 -1.607899 3.435851 ESP Fit Center 9914 is at -1.626285 -1.928929 3.435851 ESP Fit Center 9915 is at -1.305255 -2.192391 3.435851 ESP Fit Center 9916 is at -.938995 -2.388161 3.435851 ESP Fit Center 9917 is at -.541580 -2.508716 3.435851 ESP Fit Center 9918 is at -1.951335 .380750 3.030650 ESP Fit Center 9919 is at -2.080254 -.016021 3.030650 ESP Fit Center 9920 is 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ESP Fit Center 9939 is at -.564609 2.006513 5.406098 ESP Fit Center 9940 is at -.453866 1.593215 5.406098 ESP Fit Center 9941 is at .862003 3.045771 5.206493 ESP Fit Center 9942 is at .470371 3.188314 5.206493 ESP Fit Center 9943 is at .053604 3.188314 5.206493 ESP Fit Center 9944 is at -.338028 3.045771 5.206493 ESP Fit Center 9945 is at -.657290 2.777879 5.206493 ESP Fit Center 9946 is at -.865674 2.416948 5.206493 ESP Fit Center 9947 is at -.938044 2.006513 5.206493 ESP Fit Center 9948 is at -.865674 1.596078 5.206493 ESP Fit Center 9949 is at .157757 3.530303 4.937869 ESP Fit Center 9950 is at -.249491 3.445676 4.937869 ESP Fit Center 9951 is at -.618806 3.254313 4.937869 ESP Fit Center 9952 is at -.922796 2.970406 4.937869 ESP Fit Center 9953 is at -1.138916 2.615011 4.937869 ESP Fit Center 9954 is at -1.251137 2.214487 4.937869 ESP Fit Center 9955 is at -1.251137 1.798539 4.937869 ESP Fit Center 9956 is at -1.138916 1.398015 4.937869 ESP Fit Center 9957 is at -.253104 3.727038 4.610550 ESP Fit Center 9958 is at -.636000 3.561873 4.610550 ESP Fit Center 9959 is at -.970485 3.312858 4.610550 ESP Fit Center 9960 is at -1.238527 2.993417 4.610550 ESP Fit Center 9961 is at -1.425677 2.620773 4.610550 ESP Fit Center 9962 is at -1.521843 2.215013 4.610550 ESP Fit Center 9963 is at -1.521843 1.798013 4.610550 ESP Fit Center 9964 is at -1.425677 1.392254 4.610550 ESP Fit Center 9965 is at -.354681 3.904422 4.237115 ESP Fit Center 9966 is at -.735803 3.734736 4.237115 ESP Fit Center 9967 is at -1.073316 3.489518 4.237115 ESP Fit Center 9968 is at -1.352471 3.179486 4.237115 ESP Fit Center 9969 is at -1.561065 2.818189 4.237115 ESP Fit Center 9970 is at -1.689984 2.421418 4.237115 ESP Fit Center 9971 is at -1.733592 2.006513 4.237115 ESP Fit Center 9972 is at -1.689984 1.591609 4.237115 ESP Fit Center 9973 is at -1.561065 1.194838 4.237115 ESP Fit Center 9974 is at -.548726 3.963749 3.831914 ESP Fit Center 9975 is at -.914986 3.767978 3.831914 ESP Fit Center 9976 is at 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ESP Fit Center 9995 is at -1.815803 2.419811 2.989124 ESP Fit Center 9996 is at -1.856509 2.006513 2.989124 ESP Fit Center 9997 is at -1.815803 1.593215 2.989124 ESP Fit Center 9998 is at -.735803 3.734736 2.583922 ESP Fit Center 9999 is at -1.073316 3.489518 2.583922 ESP Fit Center **** is at -1.352471 3.179486 2.583922 ESP Fit Center **** is at -1.561065 2.818189 2.583922 ESP Fit Center **** is at -1.689984 2.421418 2.583922 ESP Fit Center **** is at -1.733592 2.006513 2.583922 ESP Fit Center **** is at -1.689984 1.591609 2.583922 ESP Fit Center **** is at -.636000 3.561873 2.210487 ESP Fit Center **** is at -.970485 3.312858 2.210487 ESP Fit Center **** is at 4.025495 5.522606 2.307763 ESP Fit Center **** is at 3.685677 5.762476 2.307763 ESP Fit Center **** is at 4.358793 5.560794 1.980444 ESP Fit Center **** is at 4.055478 5.846956 1.980444 ESP Fit Center **** is at 3.694346 6.055456 1.980444 ESP Fit Center **** is at 3.294864 6.175053 1.980444 ESP Fit Center **** is at 2.878570 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5.229238 ESP Fit Center **** is at 2.996520 5.042820 5.229238 ESP Fit Center **** is at 2.669851 5.293482 5.229238 ESP Fit Center **** is at 2.289437 5.451054 5.229238 ESP Fit Center **** is at 1.881203 5.504799 5.229238 ESP Fit Center **** is at 1.472969 5.451054 5.229238 ESP Fit Center **** is at 1.092555 5.293482 5.229238 ESP Fit Center **** is at .765886 5.042820 5.229238 ESP Fit Center **** is at .515225 4.716151 5.229238 ESP Fit Center **** is at .357652 4.335738 5.229238 ESP Fit Center **** is at .303907 3.927503 5.229238 ESP Fit Center **** is at 2.669851 2.561525 5.229238 ESP Fit Center **** is at 2.996520 2.812187 5.229238 ESP Fit Center **** is at 3.247182 3.138855 5.229238 ESP Fit Center **** is at 3.404754 3.519269 5.229238 ESP Fit Center **** is at 3.785687 3.927503 4.968315 ESP Fit Center **** is at 3.741161 4.336911 4.968315 ESP Fit Center **** is at 3.609666 4.727175 4.968315 ESP Fit Center **** is at 3.397349 5.080048 4.968315 ESP Fit Center **** is at 3.114140 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**** is at 3.185282 6.325664 3.538828 ESP Fit Center **** is at 2.803921 6.496626 3.538828 ESP Fit Center **** is at 2.400932 6.607369 3.538828 ESP Fit Center **** is at 1.985762 6.655298 3.538828 ESP Fit Center **** is at 1.568140 6.639291 3.538828 ESP Fit Center **** is at 1.157857 6.559721 3.538828 ESP Fit Center **** is at .764528 6.418454 3.538828 ESP Fit Center **** is at .397373 6.218802 3.538828 ESP Fit Center **** is at .064998 5.965443 3.538828 ESP Fit Center **** is at -.224807 5.664317 3.538828 ESP Fit Center **** is at -.465248 5.322481 3.538828 ESP Fit Center **** is at -.650691 4.947948 3.538828 ESP Fit Center **** is at -.776789 4.549497 3.538828 ESP Fit Center **** is at -.840585 4.136467 3.538828 ESP Fit Center **** is at 4.396862 5.138981 3.125014 ESP Fit Center **** is at 4.188203 5.500389 3.125014 ESP Fit Center **** is at 3.928009 5.826662 3.125014 ESP Fit Center **** is at 3.622093 6.110510 3.125014 ESP Fit Center **** is at 3.277288 6.345594 3.125014 ESP Fit 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Fit Center **** is at 1.672544 6.711866 2.706525 ESP Fit Center **** is at 1.259887 6.649668 2.706525 ESP Fit Center **** is at .861109 6.526662 2.706525 ESP Fit Center **** is at .485118 6.345594 2.706525 ESP Fit Center **** is at .140313 6.110510 2.706525 ESP Fit Center **** is at -.165603 5.826662 2.706525 ESP Fit Center **** is at -.425797 5.500389 2.706525 ESP Fit Center **** is at -.634456 5.138981 2.706525 ESP Fit Center **** is at -.786919 4.750510 2.706525 ESP Fit Center **** is at -.879781 4.343655 2.706525 ESP Fit Center **** is at 3.185282 6.325664 2.292711 ESP Fit Center **** is at 2.803921 6.496626 2.292711 ESP Fit Center **** is at 2.400932 6.607369 2.292711 ESP Fit Center **** is at 1.985762 6.655298 2.292711 ESP Fit Center **** is at 1.568140 6.639291 2.292711 ESP Fit Center **** is at 1.157857 6.559721 2.292711 ESP Fit Center **** is at .764528 6.418454 2.292711 ESP Fit Center **** is at .397373 6.218802 2.292711 ESP Fit Center **** is at .064998 5.965443 2.292711 ESP Fit Center **** is at -.224807 5.664317 2.292711 ESP Fit Center **** is at -.465248 5.322481 2.292711 ESP Fit Center **** is at -.650691 4.947948 2.292711 ESP Fit Center **** is at -.776789 4.549497 2.292711 ESP Fit Center **** is at -.840585 4.136467 2.292711 ESP Fit Center **** is at 2.288941 6.501860 1.892815 ESP Fit Center **** is at 1.881203 6.533950 1.892815 ESP Fit Center **** is at 1.473465 6.501860 1.892815 ESP Fit Center **** is at 1.075767 6.406381 1.892815 ESP Fit Center **** is at .697901 6.249864 1.892815 ESP Fit Center **** is at .349172 6.036163 1.892815 ESP Fit Center **** is at .038167 5.770539 1.892815 ESP Fit Center **** is at -.227456 5.459534 1.892815 ESP Fit Center **** is at -.441158 5.110805 1.892815 ESP Fit Center **** is at -.597675 4.732940 1.892815 ESP Fit Center **** is at -.693154 4.335241 1.892815 ESP Fit Center **** is at 1.573201 6.332734 1.515770 ESP Fit Center **** is at 1.171146 6.246084 1.515770 ESP Fit Center **** is at .789517 6.092733 1.515770 ESP Fit Center **** is at .439294 5.877093 1.515770 ESP Fit Center **** is at .130553 5.605366 1.515770 ESP Fit Center **** is at -.127826 5.285370 1.515770 ESP Fit Center **** is at -.328409 4.926311 1.515770 ESP Fit Center **** is at -.465425 4.538518 1.515770 ESP Fit Center **** is at 1.165209 5.996231 1.169998 ESP Fit Center **** is at .786639 5.823344 1.169998 ESP Fit Center **** is at .447629 5.581936 1.169998 ESP Fit Center **** is at .160432 5.280733 1.169998 ESP Fit Center **** is at -.064572 4.930620 1.169998 ESP Fit Center **** is at -.219250 4.544252 1.169998 ESP Fit Center **** is at .498557 5.237216 .863224 ESP Fit Center **** is at 3.404244 .694929 4.974858 ESP Fit Center **** is at 3.805134 .694929 4.891552 ESP Fit Center **** is at 3.696697 1.099625 4.891552 ESP Fit Center **** is at 4.190947 .694929 4.754434 ESP Fit Center **** is at 4.118868 1.103713 4.754434 ESP Fit Center **** is at 4.554496 .694929 4.566059 ESP Fit Center **** is at 4.496693 1.115476 4.566059 ESP 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ESP Fit Center **** is at 5.555249 1.894776 3.007439 ESP Fit Center **** is at 5.353275 2.254657 3.007439 ESP Fit Center **** is at 5.101053 2.581295 3.007439 ESP Fit Center **** is at 5.426718 -1.132441 4.438059 ESP Fit Center **** is at 5.218059 -.771033 4.438059 ESP Fit Center **** is at 5.834714 -1.132441 4.344936 ESP Fit Center **** is at 5.724143 -.719784 4.344936 ESP Fit Center **** is at 5.422057 -.417698 4.344936 ESP Fit Center **** is at 5.009399 -.307126 4.344936 ESP Fit Center **** is at 5.422057 -1.847184 4.344936 ESP Fit Center **** is at 5.724143 -1.545098 4.344936 ESP Fit Center **** is at 6.224274 -1.132441 4.192045 ESP Fit Center **** is at 6.151008 -.716929 4.192045 ESP Fit Center **** is at 5.940047 -.351535 4.192045 ESP Fit Center **** is at 5.616837 -.080329 4.192045 ESP Fit Center **** is at 5.220360 .063977 4.192045 ESP Fit Center **** is at 5.616837 -2.184553 4.192045 ESP Fit Center **** is at 5.940047 -1.913347 4.192045 ESP Fit Center **** is at 6.151008 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**** is at -.321587 -3.135279 1.656871 ESP Fit Center **** is at -.289497 -3.543017 1.656871 ESP Fit Center **** is at -.194018 -3.940715 1.656871 ESP Fit Center **** is at -.037501 -4.318581 1.656871 ESP Fit Center **** is at .176200 -4.667309 1.656871 ESP Fit Center **** is at .441824 -4.978315 1.656871 ESP Fit Center **** is at .752829 -5.243938 1.656871 ESP Fit Center **** is at 1.101558 -5.457639 1.656871 ESP Fit Center **** is at 1.479423 -5.614157 1.656871 ESP Fit Center **** is at 1.877122 -5.709635 1.656871 ESP Fit Center **** is at 2.284860 -5.741725 1.656871 ESP Fit Center **** is at 2.692598 -5.709635 1.656871 ESP Fit Center **** is at -.373132 -2.513284 1.256975 ESP Fit Center **** is at -.436929 -2.926315 1.256975 ESP Fit Center **** is at -.436929 -3.344243 1.256975 ESP Fit Center **** is at -.373132 -3.757273 1.256975 ESP Fit Center **** is at -.247035 -4.155724 1.256975 ESP Fit Center **** is at -.061592 -4.530256 1.256975 ESP Fit Center **** is at .178850 -4.872092 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Fit Center **** is at 2.794363 -4.970344 -1.418629 ESP Fit Center **** is at 2.284860 -4.712575 -1.679552 ESP Fit Center **** is at 2.693094 -4.658830 -1.679552 ESP Fit Center **** is at 2.495820 -4.331696 -1.888797 ESP Fit Center **** is at 5.209568 -4.260029 3.342295 ESP Fit Center **** is at 5.826224 -3.898621 3.249173 ESP Fit Center **** is at 4.588252 -4.613364 3.249173 ESP Fit Center **** is at 5.000909 -4.723935 3.249173 ESP Fit Center **** is at 5.413567 -4.613364 3.249173 ESP Fit Center **** is at 5.715653 -4.311278 3.249173 ESP Fit Center **** is at 6.215784 -3.898621 3.096282 ESP Fit Center **** is at 6.142518 -3.483109 3.096282 ESP Fit Center **** is at 4.393472 -4.950733 3.096282 ESP Fit Center **** is at 4.789949 -5.095039 3.096282 ESP Fit Center **** is at 5.211870 -5.095039 3.096282 ESP Fit Center **** is at 5.608347 -4.950733 3.096282 ESP Fit Center **** is at 5.931557 -4.679527 3.096282 ESP Fit Center **** is at 6.142518 -4.314133 3.096282 ESP Fit Center **** is at 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ESP Fit Center **** is at 5.510413 -5.733686 2.626114 ESP Fit Center **** is at 5.892986 -5.581255 2.626114 ESP Fit Center **** is at 6.233846 -5.350146 2.626114 ESP Fit Center **** is at 6.517056 -5.051165 2.626114 ESP Fit Center **** is at 6.729372 -4.698293 2.626114 ESP Fit Center **** is at 6.860867 -4.308029 2.626114 ESP Fit Center **** is at 7.190037 -3.898621 2.319340 ESP Fit Center **** is at 3.280138 -5.251850 2.319340 ESP Fit Center **** is at 3.567335 -5.553054 2.319340 ESP Fit Center **** is at 3.906345 -5.794462 2.319340 ESP Fit Center **** is at 4.284916 -5.967349 2.319340 ESP Fit Center **** is at 4.689364 -6.065467 2.319340 ESP Fit Center **** is at 5.105072 -6.085270 2.319340 ESP Fit Center **** is at 5.517016 -6.026041 2.319340 ESP Fit Center **** is at 5.910306 -5.889922 2.319340 ESP Fit Center **** is at 6.270728 -5.681832 2.319340 ESP Fit Center **** is at 6.585256 -5.409292 2.319340 ESP Fit Center **** is at 6.842521 -5.082153 2.319340 ESP Fit Center **** is at 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ESP Fit Center **** is at 3.468878 -6.007280 1.596524 ESP Fit Center **** is at 3.817607 -6.220982 1.596524 ESP Fit Center **** is at 4.195473 -6.377499 1.596524 ESP Fit Center **** is at 4.593171 -6.472978 1.596524 ESP Fit Center **** is at 5.000909 -6.505067 1.596524 ESP Fit Center **** is at 5.408647 -6.472978 1.596524 ESP Fit Center **** is at 5.806346 -6.377499 1.596524 ESP Fit Center **** is at 6.184211 -6.220982 1.596524 ESP Fit Center **** is at 6.532940 -6.007280 1.596524 ESP Fit Center **** is at 3.184704 -5.936561 1.196628 ESP Fit Center **** is at 3.517080 -6.189919 1.196628 ESP Fit Center **** is at 3.884234 -6.389572 1.196628 ESP Fit Center **** is at 4.277563 -6.530838 1.196628 ESP Fit Center **** is at 4.687847 -6.610408 1.196628 ESP Fit Center **** is at 5.105468 -6.626416 1.196628 ESP Fit Center **** is at 5.520639 -6.578487 1.196628 ESP Fit Center **** is at 5.923627 -6.467743 1.196628 ESP Fit Center **** is at 3.260019 -6.081628 .782813 ESP Fit Center **** is at 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Center **** is at 3.468878 -6.007280 -.449386 ESP Fit Center **** is at 3.817607 -6.220982 -.449386 ESP Fit Center **** is at 4.195473 -6.377499 -.449386 ESP Fit Center **** is at 4.593171 -6.472978 -.449386 ESP Fit Center **** is at 5.000909 -6.505067 -.449386 ESP Fit Center **** is at 3.250259 -5.576484 -.826431 ESP Fit Center **** is at 3.559000 -5.848210 -.826431 ESP Fit Center **** is at 3.909223 -6.063851 -.826431 ESP Fit Center **** is at 4.290852 -6.217202 -.826431 ESP Fit Center **** is at 4.692907 -6.303852 -.826431 ESP Fit Center **** is at 3.280138 -5.251850 -1.172202 ESP Fit Center **** is at 3.567335 -5.553054 -1.172202 ESP Fit Center **** is at 3.906345 -5.794462 -1.172202 ESP Fit Center **** is at 4.284916 -5.967349 -1.172202 ESP Fit Center **** is at 4.689364 -6.065467 -1.172202 ESP Fit Center **** is at 3.618263 -5.208333 -1.478976 ESP Fit Center **** is at 3.932138 -5.474941 -1.478976 ESP Fit Center **** is at 4.295987 -5.667842 -1.478976 ESP Fit Center **** is at 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OneElI was handed 5821122 working-precision words. Calculate electrostatic properties NBasis = 720 MinDer = 0 MaxDer = 0 NGrid = 15243 NMatD = 1 Requested accuracy = .1000D-05 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 4218690 working-precision words and 6933 shell-pairs 15173 points will be used for fitting atomic charges Fitting point charges to eletrostatic potential Charges from ESP fit, RMS= .00159 RRMS= .01828: Charge= -1.00000 Dipole= -3.1917 -7.0380 9.7062 Tot= 12.4069 1 1 P 1.202071 2 O -.502585 3 P 1.270188 4 O -.315952 5 C -.162644 6 C .377341 7 C -.063752 8 C .891787 9 C .223987 10 N .017535 11 C -.067440 12 C -.185540 13 C .041232 14 C -.283796 15 C .967127 16 N -1.103208 17 O -.688307 18 C .209501 19 O -.526774 20 O -.830493 21 O -.702660 22 O -.771318 23 O -.804940 24 O -.465994 25 C .119104 26 C .176205 27 C .069573 28 C .266271 29 C .453757 30 N -.382772 31 C .543548 32 N -.800289 33 C .641660 34 N -.844198 35 C .802142 36 N -.962277 37 C -.046193 38 N -.636420 39 C .364582 40 O -.566645 41 O -.747261 42 O -.676974 43 O -.700905 44 O -.795177 45 H .100134 46 H .097959 47 H .014808 48 H .116474 49 H -.345980 50 H .077413 51 H .191038 52 H .168385 53 H .169826 54 H .449660 55 H .503971 56 H .138799 57 H .505961 58 H .446068 59 H .062169 60 H .079093 61 H .095296 62 H .046192 63 H .049297 64 H .102007 65 H .044591 66 H .409804 67 H .415026 68 H .116733 69 H .482330 70 H .459850 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -54.120333 2 Atom -22.419529 3 Atom -54.134688 4 Atom -22.408021 5 Atom -14.758222 6 Atom -14.738524 7 Atom -14.745162 8 Atom -14.759245 9 Atom -14.678985 10 Atom -18.282364 11 Atom -14.696400 12 Atom -14.754051 13 Atom -14.737934 14 Atom -14.762152 15 Atom -14.682414 16 Atom -18.421562 17 Atom -22.435348 18 Atom -14.705903 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