! 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  -1.8399942574   0.3661470117  -2.8127925099
Cl  -1.6965169916   4.9493794384  -0.0710165438
F    3.2860966131  -0.8365185979  -0.8934319187
F    2.1209595104   0.9614611706  -0.6451907881
F    2.5251874121   0.8316999010   2.1004880380
F    4.3362919208   0.9374785465   0.8844481724
O    1.4299621923  -0.9190183050   0.3422543595
N   -1.2057770471  -3.1384526060   1.0026398124
N   -1.8882745609  -3.8284072002   0.0882630078
N   -0.7140272633  -5.2133227051   1.3967154310
C   -0.9041816879  -1.0325172061  -0.2356114791
C   -1.2987565170  -1.6996929434   1.0842467158
C    0.5167215838  -1.3662151180  -0.6695441413
C   -1.1172317420   0.4603637492  -0.1906692230
C   -1.5351562625   1.1782791783  -1.3109360852
C   -0.8591302189   1.1988074325   0.9617410233
C    2.4819662011  -0.1819655892  -0.0149825308
C   -1.7182338555   2.5518912424  -1.2899740847
C   -1.0310458067   2.5712731677   1.0168391351
C   -0.5106930929  -3.9748678967   1.7760684956
C   -1.4649359488   3.2373775261  -0.1152286655
C    3.3009442174   0.1435444707   1.2337986538
C   -1.5616299909  -5.0661559765   0.3607651673
H   -1.5524100246  -1.4568203212  -1.0056786304
H   -0.6640544465  -1.3951147930   1.9140936130
H   -2.3231213088  -1.4268063279   1.3398336490
H    0.6481701182  -2.4431298185  -0.7887379661
H    0.7218973853  -0.9090537821  -1.6389095558
H   -0.5199083536   0.7020769477   1.8596050121
H   -2.0530765281   3.0741225592  -2.1753620660
H   -0.8239458153   3.1072417994   1.9324955463
H    0.1129486509  -3.6406571498   2.5905609333
H    3.6793705694  -0.7573396771   1.7182943511
H   -1.9515021055  -5.8962543998  -0.2076435895
*