! 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  -1.0189686757   0.7991712082  -2.9908410098
Cl  -5.0545721996   2.6910963739  -0.0470816972
F    3.3259367971   0.8172416487  -1.0111751427
F    3.9555006577   1.3181908235   0.9909292191
F    4.3541212480  -1.7255160657  -0.7082719582
F    5.0138674051  -1.2020776196   1.3084757372
O    2.4955535899  -0.3457629603   0.7131823960
N   -0.7148705644  -2.0972771096   0.5174148147
N   -0.2806680802  -2.2612578826   1.7693089348
N   -2.4176307494  -2.9029208129   1.5944861642
C    0.3348542550  -0.0103745683  -0.3481769227
C    0.1212499554  -1.5236627651  -0.5078042650
C    1.2485891890   0.3576884402   0.8192513361
C   -0.9919781205   0.7030989608  -0.2703460525
C   -1.6877612583   1.0880703989  -1.4170434439
C   -1.6171487464   0.9522651487   0.9503296124
C    3.5612107236   0.2761556532   0.2142323017
C   -2.9292647437   1.7013085295  -1.3641742094
C   -2.8576895228   1.5612978852   1.0377421525
C   -1.9906029982  -2.4792726352   0.4291640821
C   -3.5045760498   1.9329806179  -0.1270207434
C    4.7303420476  -0.6993380827   0.0870567063
C   -1.3341409126  -2.7452701381   2.3782594223
H    0.8405774898   0.3059774336  -1.2618616827
H   -0.3602573271  -1.7213566269  -1.4646153492
H    1.0753506238  -2.0490616143  -0.5197151803
H    1.3964172579   1.4389535252   0.8532230277
H    0.8428246469   0.0508860446   1.7797246147
H   -1.1361279174   0.6672484567   1.8762953208
H   -3.4365339773   1.9907849179  -2.2739322000
H   -3.3077448449   1.7359250911   2.0050184528
H   -2.5544714923  -2.4378630101  -0.4898462284
H    5.6188754109  -0.2214230005  -0.3281796147
H   -1.3180637484  -3.0000726151   3.4267205952
*