PM6 single point calculation
 &qmmm
    qm_theory    = 'PM6',
    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 settings
    ntpr         = 10,
    verbosity    = 0,
 /
 6  C         -0.412546    1.678175   -0.000000
 6  C          0.412546    2.561627   -0.000000
 1  H         -1.132026    0.890809   -0.000000
 1  H          1.134651    3.345770   -0.000000
