! 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  -2.3250312889  -2.4438533848   1.9348229281
Cl  -4.8488103601  -1.0247746043   1.9139165194
F    3.7708043549   1.5833480523  -2.0161002058
F    2.9379630528  -0.2628161130  -2.8196067164
O    0.8746303105  -0.2915985891   1.3170887682
N    1.2133971765   1.0519150733  -0.4735443669
N    4.7928266621  -1.4789753506   0.8675227578
N    5.0468932235  -1.0159752969  -0.3475980208
C   -1.5667265257  -0.4995689302  -0.5675080140
C   -3.5491324818   0.6196302911  -0.5811270502
C   -2.1125166413  -0.7372025198  -2.0015842167
C   -3.4668196863   0.0171209132  -2.0090658255
C   -2.8700657165  -0.4828651719   0.1929333983
C   -1.2385973350   0.9734410858  -0.4734250465
C   -2.4577740593   1.6598673564  -0.5008566586
C   -0.0464860805   1.6772152303  -0.4675292929
C   -2.5182707061   3.0370445378  -0.5456403566
C   -3.2865113984  -1.2135185231   1.2063581070
C   -0.1028466421   3.0742091078  -0.4981322098
C   -1.3160274996   3.7413722624  -0.5455388498
C    1.6045611151   0.1155798566   0.4289063334
C    2.9766060900  -0.4031500250   0.2941468542
C    3.9658982868  -0.3620552128  -0.7170290130
C    3.5723274423  -1.1469868849   1.2939209040
C    3.9661774248   0.2271902036  -2.0784654904
C    5.7965305013  -2.2410363380   1.5726070207
H   -0.8069261897  -1.2013142238  -0.2443463914
H   -4.5400167068   0.9357803916  -0.2660070849
H   -2.2560035593  -1.8050308542  -2.1700076243
H   -1.4159278998  -0.3763766089  -2.7582068109
H   -3.5211717822   0.7937547480  -2.7717709141
H   -4.2992533289  -0.6674876837  -2.1755165290
H   -3.4656035263   3.5598043293  -0.5832007742
H    0.8192992992   3.6428789260  -0.4784565477
H   -1.3234085348   4.8232842790  -0.5699675423
H    1.9301004911   1.5318328067  -0.9946672696
H    3.2016382197  -1.4420894651   2.2620190435
H    4.9054382077   0.0432791204  -2.5997656275
H    6.0873374655  -3.1078691519   0.9836778277
H    5.3846906275  -2.5769202690   2.5192555596
H    6.6718018464  -1.6238283560   1.7635339763
*