! 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  -0.2384976925   0.8185625848  -2.5548263928
Cl   3.8176853824   2.4694518778   0.4798433559
O   -2.3848471304   0.0517908525  -0.6489279747
O   -1.8176960677  -0.9021537556   1.3022754137
N    0.1294148909  -2.5572041279  -0.4132538605
N    0.3305918676  -3.1090567747   0.7843950045
N    2.2244695505  -3.1190551168  -0.4132657178
C   -1.3588704519  -0.6264755557   0.0087214819
C   -3.2668903118   0.6041284319   0.3217154061
C   -3.1423619177  -0.4119138067   1.4468884017
C   -1.1206094061  -1.9379008852  -0.7654933636
C   -0.0727845680   0.1932279090   0.1051235139
C   -2.8938699454   2.0287296043   0.7059350780
C   -3.9951160321   2.7041258430   1.5091487398
C    0.4915127049   0.8547905748  -0.9829635316
C    0.6213887334   0.2508373011   1.3107461901
C    1.6811533716   1.5605824071  -0.8774414679
C    1.8123262330   0.9430620533   1.4446186824
C    1.2671835662  -2.5619719567  -1.1130470237
C    2.3316754835   1.5979928697   0.3425628345
C    1.5980088354  -3.4323524717   0.7382068202
H   -4.2679908059   0.5948588140  -0.1169685455
H   -3.2527126107   0.0188498439   2.4435010705
H   -3.8675620829  -1.2247879048   1.3415930860
H   -1.1009376094  -1.7436480852  -1.8367610335
H   -1.9398320347  -2.6310159660  -0.5682962938
H   -1.9595376408   2.0403026484   1.2752519298
H   -2.7089740811   2.5969748163  -0.2092195306
H   -4.9270496307   2.7551660365   0.9427650226
H   -4.2063841224   2.1796038702   2.4432070281
H   -3.7141427940   3.7245116193   1.7705565935
H    0.2269504933  -0.2587388704   2.1773559930
H    2.0920701072   2.0691342451  -1.7384818413
H    2.3227228032   0.9642295152   2.3974989412
H    1.3438994186  -2.1614906339  -2.1126866168
H    2.0906916568  -3.9200259966   1.5654166620
*