! 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   6.8260253368  -0.1845697872   0.0436690921
O   -1.6681067409   0.0200378194  -1.6845096242
N   -3.3587982407   1.4795235117   0.0767653006
N   -4.1543527509   1.2977203636   1.1344928278
N   -5.3758323937   1.6845924631  -0.6985367559
C   -1.3881906286   0.0203708410  -0.3028160188
C   -2.0387980353  -1.1482395680   0.5250657824
C    0.1290955886  -0.1104650519  -0.0254244203
C   -0.8686665643  -1.8624344153   1.2160054390
C    0.2022462019  -0.7854613667   1.3372473701
C   -3.0278932216  -2.0466906557  -0.2333627266
C   -1.9196701066   1.3740327812   0.1827899460
C    0.9604382830   1.1613257155  -0.1994365810
C   -2.3756481078  -3.1239061150  -1.0999581788
C   -3.9964238600  -2.7051506553   0.7460834676
C    2.4334594374   0.8689619591  -0.1423533769
C   -4.1010538695   1.7071052332  -1.0092597739
C    3.1551551175   1.0172692757   1.0382740042
C    3.1048038397   0.3943620534  -1.2667735721
C    4.5036788785   0.6975999463   1.1058647891
C    4.4518901080   0.0699797241  -1.2208723625
C   -5.3524884763   1.4298028764   0.6232532332
C    5.1414325826   0.2223628759  -0.0281549676
H   -2.6195537247  -0.6772072525   1.3234094164
H    0.5009803191  -0.8430709176  -0.7560320675
H   -0.4786229339  -2.6769497251   0.6009942622
H   -1.1541032919  -2.2955037138   2.1750282180
H   -0.0451112695  -0.0776593480   2.1353248515
H    1.1908295861  -1.1891776326   1.5583749703
H   -3.6210831200  -1.4031311615  -0.8903867221
H   -1.4834006525   2.1873119754  -0.3981454257
H   -1.6650484106   1.5391238770   1.2281088641
H    0.7065242156   1.8917238416   0.5722359778
H    0.7201205989   1.6186978645  -1.1632698860
H   -1.3517381881  -0.7984460073  -2.0789169540
H   -3.1139590076  -3.5709883729  -1.7675104567
H   -1.5617361601  -2.7593919596  -1.7301017747
H   -1.9626839056  -3.9328900467  -0.4945859086
H   -3.4699086290  -3.3326742293   1.4693016577
H   -4.7142941928  -3.3420144468   0.2253187618
H   -4.5645439485  -1.9597341614   1.3055619829
H   -3.6807419167   1.8896522136  -1.9847683130
H    2.6620998721   1.3897650935   1.9281343044
H    2.5712077127   0.2758758606  -2.2026665157
H    5.0461889663   0.8203535647   2.0336211682
H    4.9548395792  -0.2950252110  -2.1063864343
H   -6.2413120159   1.3423945967   1.2281344488
*