! 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  -2.8035166455  -2.6927283689   1.1134847281
Cl  -5.2535843114  -1.1646399226   0.8946244973
F    2.1896142130  -0.4838930146  -2.2975121415
F    1.5304735307  -1.9634682954  -0.8396735682
O    2.7520133635   2.3932417356   1.0149318662
N    1.1535809931   0.9308550222   0.3176890230
N    5.3859790518  -0.7527010415   0.6139027067
N    4.7413123189  -1.4591190084  -0.3023508702
C   -1.4987499080  -0.2676676476  -0.6165702623
C   -3.4154010183   0.9409770762  -0.7912249937
C   -1.7079085098  -0.1515740375  -2.1499981008
C   -3.0156366800   0.6743654689  -2.2688573452
C   -2.9378313261  -0.3470636801  -0.1714442508
C   -1.1857905599   1.1288658648  -0.1205497357
C   -2.3648769431   1.8661993437  -0.2259068365
C    0.0015097669   1.7233457075   0.2910289488
C   -2.4084876003   3.2075863868   0.0933146638
C   -3.5753484286  -1.2707465053   0.5170492392
C   -0.0433233495   3.0800970204   0.6420824283
C   -1.2288069411   3.7943398403   0.5408272825
C    2.4307412633   1.2913435966   0.6020045679
C    3.4566915275   0.2529585999   0.3972042200
C    3.5703931548  -0.8757150987  -0.4472525845
C    4.6704325438   0.2849424304   1.0545037186
C    2.6436341642  -1.4476673949  -1.4540255630
C    6.7204034832  -1.1344998038   1.0126202484
H   -0.8474183636  -1.0787171229  -0.3031597076
H   -4.4501668636   1.2343583237  -0.6360862679
H   -1.8266662245  -1.1431500963  -2.5877934992
H   -0.8536792029   0.3218815069  -2.6336568849
H   -2.8858057762   1.6052883745  -2.8203439613
H   -3.7972821610   0.1010817467  -2.7681254419
H   -3.3209810067   3.7836151317   0.0090681029
H    0.8384534256   3.5860440791   0.9973694214
H   -1.2240843245   4.8394857804   0.8227703715
H    0.9971030920  -0.0456840538   0.1296881288
H    5.0463291375   0.9688564676   1.7981099546
H    3.1103553428  -2.2444637739  -2.0326195011
H    7.3922806135  -1.0930379663   0.1581177839
H    6.7153343246  -2.1428432880   1.4202226881
H    7.0715742743  -0.4453946922   1.7744824869
*