! 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   1.2955376505  -2.2451786720  -1.4374688284
Cl   5.4420788093   0.5793621787   0.4431023394
O   -2.0470133451   2.1114324039   1.1664652589
N   -2.6973039470  -0.6386333217   0.6564599970
N   -2.9141003089  -1.9058046073   0.2716312881
N   -4.7854742061  -1.0290899205   1.1251178925
C   -1.6457495398   1.7482110426  -1.2575358115
C   -1.2930732221   1.3955978386   0.2143988255
C   -1.4254145587   3.2550469700  -1.4360051268
C   -3.0825168736   1.4152108314  -1.6542904344
C   -0.6776527401   1.0073112365  -2.1796418803
C   -1.4003780051  -0.0700536654   0.5536691466
C   -0.3573322894  -0.8913513801   0.6833778845
C    1.0578082233  -0.5011672901   0.6116583365
C   -3.8337438336  -0.1327253844   1.1700689493
C    1.9186234747  -1.0879457314  -0.3143631761
C    1.6096546480   0.4192521843   1.5020493797
C   -4.1711803666  -2.0917852432   0.5667176945
C    3.2642830230  -0.7661312125  -0.3803878386
C    2.9497081777   0.7623868348   1.4603570380
C    3.7656078033   0.1649677004   0.5134238234
H   -0.2334810207   1.6547249354   0.3170903986
H   -1.5047460988   3.5251945696  -2.4903869258
H   -2.1697749644   3.8573775497  -0.9095989280
H   -0.4336702174   3.5664041680  -1.0973576544
H   -3.2713705346   0.3420156997  -1.6981579874
H   -3.2851189811   1.8072790685  -2.6536228011
H   -3.8131336775   1.8671660779  -0.9816016272
H   -0.7992727905  -0.0750016502  -2.1228588107
H    0.3645106149   1.2386826367  -1.9457966836
H   -0.8481152167   1.2987115663  -3.2177688451
H   -0.5509714975  -1.9467113047   0.8402034368
H   -1.8921505222   3.0533650826   1.0416446322
H   -3.9188015505   0.8670696128   1.5561831315
H    0.9752261721   0.8705367908   2.2540411281
H   -4.6666676018  -3.0304833679   0.3729631892
H    3.9052711204  -1.2322764049  -1.1156653434
H    3.3485712218   1.4803369076   2.1632047796
*