CH3F PM3 single point calculation
 &qmmm
    qm_theory    = 'PM3',
    qmcharge     = 0,
    ! SCF settings
    scfconv      = 1.0d-10, ! kcal/mol
    errconv      = 1.d-06,  ! au
    tight_p_conv = 0,
    diag_routine = 1,
    itrmax       = 100,
    ! Geometry optimization settings
    maxcyc       = 0,
    grms_tol     = 0.02,   ! kcal/(mol*A)
    ! Output
    ntpr         = 10,
    verbosity    = 0,
 /
 6 C     0.000000     0.000000     0.000000
 1 H     0.000000     0.000000     1.089000
 1 H     1.026720     0.000000    -0.362996
 1 H    -0.513360    -0.889165    -0.363000
 9 F    -0.513360     0.889165    -0.363000
