! 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   0.0119679047  -1.1290948105   1.6883968036
Cl  -7.4391251205   1.8144868613   0.9800094358
O    3.5222106983   0.0407083881  -0.8965441625
O    2.7046861573  -0.0606336187   1.1949322498
O   -2.5735458904   0.9301759045  -2.1542943960
N    3.9383409881  -2.4536650048   0.4950441160
N    5.1239630404  -2.4460659829  -0.1185240004
N    5.3673846599  -2.9481158095   2.0507975995
C    2.5278681832  -0.5391335378  -0.1133225712
C    4.0245659317   1.1911711642  -0.2245134489
C    2.7242293117  -2.0622104555  -0.1688172843
C    3.8315976664   0.7979954144   1.2287979470
C    1.1364039121  -0.1686780493  -0.6130221526
C    5.4544444828   1.4397196158  -0.6303215698
C   -0.0263297165  -0.3802144533   0.1236229369
C    0.9828427019   0.3986885837  -1.8755467375
C   -1.2800430363  -0.0249291994  -0.3512650091
C   -0.2515681245   0.7733752165  -2.3714679918
C   -1.3870477406   0.5680155240  -1.6010784869
C    4.0995184119  -2.7450756873   1.7887067771
C    5.9487503438  -2.7510106659   0.8500585162
C   -3.6809675677   1.1228519898  -1.3712426588
C   -4.8304267414   0.4196293662  -1.6928618547
C   -3.6797137017   2.0409137241  -0.3295470934
C   -5.9950564345   0.6371350412  -0.9724965880
C   -4.8385898630   2.2488678347   0.4003082878
C   -5.9885831543   1.5460332997   0.0728884200
H    3.4062497720   2.0648184533  -0.4678829053
H    2.7620691068  -2.3938374687  -1.2057443980
H    1.8939445274  -2.5779417671   0.3100177438
H    4.7097060368   0.2757296760   1.6269247507
H    3.6163211330   1.6502419530   1.8741992539
H    6.0796733803   0.5708823423  -0.4213688488
H    5.5319713095   1.6751274357  -1.6918647883
H    5.8531577681   2.2901924246  -0.0763567127
H    1.8555626987   0.5655547577  -2.4911407022
H   -2.1536086426  -0.2199457666   0.2558794540
H   -0.3334085374   1.2217001200  -3.3529246946
H    3.2768291463  -2.8066835851   2.4838142746
H    7.0111855641  -2.8418265668   0.6841402481
H   -4.8229529959  -0.2912508447  -2.5089249318
H   -2.7870941291   2.6018478346  -0.0828092705
H   -6.8938493818   0.0921610777  -1.2267459223
H   -4.8399166414   2.9626833809   1.2127023296
*