! 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  -1.0559631441   0.7754422314  -2.9037427947
Cl  -3.1003115962   3.5673225305   1.1673059897
F    4.1483566190  -1.1984378747  -0.0223211790
F    3.0647117813  -0.0760962961  -1.5125948330
F    4.1401665783   0.9902478982   1.6524656354
F    3.0376862403   2.1254740979   0.1457706050
O    2.1225253487  -0.4144499264   0.4906029141
N   -1.5585208217  -2.7069028304  -0.0028469588
N   -1.0630355762  -3.4870518108   0.9621053758
N   -3.1704771370  -2.9013059376   1.4377073594
C    0.1745315891  -1.1033138666  -0.8064160654
C   -0.7543613504  -2.2863019177  -1.1226695203
C    1.3016167247  -1.5324164474   0.1261240074
C   -0.6181808678   0.0798503646  -0.3090289192
C   -1.2239814509   0.9765291823  -1.1881470025
C   -0.8320693296   0.2988892083   1.0498630779
C    3.2532386163  -0.1857642768  -0.1704844697
C   -1.9858742157   2.0495047686  -0.7526215599
C   -1.5896515556   1.3580565625   1.5190049894
C   -2.8133140836  -2.3604470779   0.2974973673
C   -2.1580472918   2.2309657244   0.6077984124
C    3.9037608736   1.1049000305   0.3271055850
C   -2.0637350718  -3.5771652093   1.8021697532
H    0.6273574182  -0.8451286437  -1.7652017389
H   -1.4312693589  -2.0096396816  -1.9293423508
H   -0.1754897609  -3.1414031238  -1.4713705714
H    0.9349962548  -1.9403943936   1.0658714877
H    1.8839944605  -2.3233776012  -0.3508683344
H   -0.3995872087  -0.3699365988   1.7821308432
H   -2.4343629207   2.7286648607  -1.4641895595
H   -1.7285700312   1.4960961339   2.5822113600
H   -3.4201608227  -1.7347422989  -0.3378717886
H    4.8379774782   1.3209627783  -0.1939765776
H   -1.9943522288  -4.1574847436   2.7091449387
*