! 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   0.6921233600  -1.3636930858  -2.2743882618
Cl   4.8911494715   0.9254127407   0.0754716452
O   -1.3897070455  -1.5392701615  -0.1831359048
O   -1.5810121554   0.0772883821   1.3444363450
N   -1.2994240855   2.0532635081  -0.8555940400
N   -0.3311021898   2.5169281535  -1.6483159555
N   -0.9624492762   4.0872620963  -0.1835671492
C   -1.0497795235  -0.2110273325   0.0879750992
C   -1.7953871346  -2.1901161327   1.0232023863
C   -1.5128189531  -1.1307547085   2.0853286569
C   -3.2593800499  -2.5899363407   0.9242680449
C   -1.7427016474   0.6863740691  -0.9449330075
C    0.4637358683   0.0053751267   0.0813965212
C   -3.7286388011  -3.4904091583   2.0646723269
C    1.2999333200  -0.4513575437  -0.9342118239
C    1.0482455110   0.7665593745   1.0890592771
C   -3.1390831903  -4.8935943766   2.0321295894
C    2.6596260841  -0.1794191141  -0.9419587844
C    2.4018046297   1.0550714433   1.1080211679
C   -1.6634308911   2.9976876302   0.0163999626
C    3.1985873583   0.5751011573   0.0847764782
C   -0.1648771911   3.7383691381  -1.2128545928
H   -1.1609935325  -3.0684325521   1.1678579390
H   -2.2573343376  -1.0894648214   2.8802192726
H   -0.5266108113  -1.2627385916   2.5430682386
H   -3.4214545257  -3.1041979053  -0.0280515256
H   -3.8723856706  -1.6830664193   0.8962513776
H   -2.8210604443   0.6435562588  -0.7889474734
H   -1.5352282910   0.3374061836  -1.9535566184
H   -4.8174989001  -3.5633458863   2.0143454471
H   -3.5113433555  -3.0230072741   3.0302802741
H    0.4338916299   1.1571829044   1.8881198027
H   -3.3567826759  -5.3911752427   1.0849772016
H   -2.0557898068  -4.8970401989   2.1626809484
H   -3.5573278157  -5.5103260398   2.8289286061
H    3.2848528721  -0.5482643618  -1.7430252782
H    2.8188795235   1.6499606218   1.9085478443
H   -2.4332892574   2.8515844164   0.7575742392
H    0.5585501532   4.4057126846  -1.6546176557
*