! 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  -0.3090834043   0.9704461816  -2.4923748971
Cl   3.6895812561   2.6020066734   0.6274160809
O   -2.3721419789  -0.0471226642  -0.6225171089
O   -1.7700538093  -1.1447637775   1.2110326142
N    0.1629483539  -2.6628194440  -0.4706306917
N    1.3332524859  -2.4178890390  -1.0639704673
N    1.6089714420  -3.8136407878   0.6633188132
C   -1.3100260561  -0.7375822371  -0.0429693107
C   -3.1300036704   0.5735010832   0.4131039962
C   -2.6082151989  -0.1062583566   1.6904530844
C   -1.0375245825  -1.9879684205  -0.8869092606
C   -0.0607997506   0.1330197835   0.0992565764
C   -2.9664754269   2.0833229026   0.4143099499
C   -3.8677435369   2.7433787736   1.4477362089
C    0.4476200857   0.9137967905  -0.9363960517
C    0.6502588008   0.1241737545   1.2949489585
C    1.5957681023   1.6753388378  -0.7837098120
C    1.7998805461   0.8738779223   1.4769556826
C    0.3428179756  -3.4901681481   0.5634419581
C    2.2605128779   1.6501960535   0.4296982300
C    2.1694488815  -3.1301021382  -0.3548601113
H   -4.1803956885   0.3226792308   0.2363703559
H   -2.0468020354   0.5929902284   2.3211228804
H   -3.3978401654  -0.5518121212   2.2944697269
H   -0.9252172604  -1.7238267360  -1.9356349685
H   -1.8854107804  -2.6678519316  -0.7999015087
H   -1.9220690412   2.3424439677   0.6098258211
H   -3.2063748220   2.4683474513  -0.5791712570
H   -3.7284093853   3.8244352603   1.4482276107
H   -4.9217655543   2.5483616712   1.2419375572
H   -3.6601398402   2.3938033347   2.4613245002
H    0.3029107918  -0.4846948287   2.1179186278
H    1.9656702286   2.2755107444  -1.6035183519
H    2.3222586987   0.8467912912   2.4229903439
H   -0.4628799825  -3.8318541122   1.1939478157
H    3.2236975812  -3.1626277619  -0.5823394220
*