! 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   0.7014307431  -0.2325532126  -3.0974177061
Cl   3.6716358386  -2.8986693405   0.4616294622
O   -0.6333576475   2.1307241986   0.3676823120
N   -2.2330975719  -0.3370444146   0.2309022363
N   -2.8241081083  -0.9099795689   2.2749218619
C   -0.5635343896   1.2286415685  -0.7031359609
C   -1.9044169880   0.5003050904  -0.8955852951
C    0.5387430776   0.2378764320  -0.4240176071
C    1.1429680698  -0.4970490431  -1.4393645958
C    0.9401465022  -0.0325004380   0.8810443183
C   -1.9513353161  -1.6696190277   0.3588244513
C   -2.7439461909   0.0704288827   1.4148137910
C   -1.1775850275   3.3946823733   0.0363009232
C    2.1076428900  -1.4594736482  -1.1860923107
C    1.8986124033  -0.9890474776   1.1672361878
C    2.4742859267  -1.6973270666   0.1266562559
C   -2.3286893300  -2.0045786459   1.6253156790
C   -1.1239901532   4.2615705594   1.2489311742
C   -2.1543719351   4.9642262091   1.6996017237
H   -0.3508218446   1.7633121048  -1.6385538595
H   -2.7050447293   1.2248608412  -1.0509998798
H   -1.8697191856  -0.1182470488  -1.7910559162
H    0.4961473370   0.5117082899   1.7025140071
H   -1.5273649881  -2.2486933530  -0.4450410056
H   -3.0536116196   1.0897622915   1.5871085420
H   -0.5875126170   3.8500977292  -0.7716534193
H   -2.2094912510   3.3159004132  -0.3269749163
H    2.5606730011  -2.0096830431  -1.9989730931
H    2.1852335734  -1.1787047636   2.1922718689
H   -2.2714558988  -2.9730489538   2.0979217867
H   -0.1611632417   4.3300435064   1.7463882325
H   -2.0613091106   5.6107034933   2.5628946694
H   -3.1313001028   4.9171650296   1.2321439657
*