! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -1.0524043258  -0.4009498366  -2.0702830793
Cl  -3.1594881675   3.6764880288   0.6535339225
F    3.4530726123  -0.9407168611  -0.5966189846
F    2.0177717082   0.6036176888  -1.0537389733
F    4.5693810112   1.4582387347  -1.2214505440
F    4.9550057590   0.8533996075   0.8411879591
O    2.3578038270   0.0475308562   1.0863787065
N   -1.6488911501  -2.7657658171   0.4249407146
N   -1.5507447166  -3.5399582003  -0.6566685989
N   -3.6486312457  -2.7995522316  -0.4125765366
C    0.3013938056  -1.2646529309   0.5922353240
C   -0.4882037082  -2.4297897723   1.2086703505
C    1.5954340292  -1.1238931144   1.3887921901
C   -0.5367878361  -0.0115091377   0.5749390266
C   -1.1949793833   0.4425606072  -0.5657424071
C   -0.7366629154   0.7171094526   1.7457852664
C    2.9185071426   0.2053430791  -0.1173616086
C   -2.0007532938   1.5723549727  -0.5552829589
C   -1.5351051275   1.8458703799   1.7911340304
C   -2.9025062505  -2.3230562309   0.5538708826
C   -2.1601408118   2.2670358665   0.6293022737
C    3.9971783263   1.2843380440  -0.0102359591
C   -2.7719713747  -3.5343539938  -1.1252510269
H    0.5526938529  -1.5584446914  -0.4278852679
H    0.1380513999  -3.3192246936   1.2773911720
H   -0.8185027302  -2.1816810568   2.2176425150
H    1.3968390395  -1.0332768902   2.4562488351
H    2.2045483528  -2.0204380989   1.2574521917
H   -0.2625304758   0.3972744337   2.6650832199
H   -2.4947070584   1.8995177051  -1.4596687412
H   -1.6642298597   2.3856708127   2.7188463408
H   -3.2207554762  -1.6802918087   1.3600166019
H    3.5925859015   2.2337070227   0.3439457311
H   -3.0445149891  -4.0852886097  -2.0118362088
*