! 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   1.1754643392   0.3375415021  -2.2399586989
Cl   4.0813331377  -3.7220636819  -0.3774046172
O   -1.2612144441   0.3454906081  -0.5704835382
O   -1.1584997926  -0.1328199029   1.5928060321
N   -0.7946057190   2.6598928989   0.9180017647
N   -1.4241204523   2.9059146229   2.0677376251
N   -2.2478060372   4.1938426149   0.4308051322
C   -0.3847630445   0.2677253389   0.5020646318
C   -2.1773576961  -0.7322886864  -0.4247816113
C   -2.2229141961  -0.9314378130   1.0980528255
C    0.2136238611   1.6426028865   0.7999172032
C    0.7443015799  -0.7345681374   0.2426787884
C   -3.5009557522  -0.4070447704  -1.0893965984
C   -4.1748753125   0.8731495977  -0.6219035703
C    1.4783428616  -0.7707240309  -0.9422628535
C    1.0941274531  -1.6465857816   1.2335163539
C    2.5037092189  -1.6831032633  -1.1413116516
C    2.1110764640  -2.5705635853   1.0622318765
C   -1.3000406537   3.4268377638  -0.0502357647
C    2.8076000847  -2.5803346457  -0.1326977076
C   -2.2821332757   3.8327182380   1.7294892531
H   -1.7621902511  -1.6294929195  -0.9011996712
H   -3.1533193788  -0.5853434149   1.5517130512
H   -2.0847927239  -1.9819619004   1.3667129416
H    0.9053380169   1.9361788824   0.0116421344
H    0.7798994293   1.5983666642   1.7294659077
H   -4.1606399117  -1.2619653392  -0.9148983402
H   -3.3475865415  -0.3682655948  -2.1705532385
H   -5.1393894263   0.9890877742  -1.1169678354
H   -4.3660298733   0.8779196343   0.4517987485
H   -3.5828258355   1.7567781160  -0.8545126230
H    0.5609542388  -1.6422740577   2.1737427589
H    3.0545043221  -1.6900688456  -2.0716220479
H    2.3500772790  -3.2671665303   1.8534511382
H   -0.9452138989   3.3976598553  -1.0683079277
H   -2.9574673482   4.2712752075   2.4476566171
*