! 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   1.6303051754   1.0330171170  -2.8086932421
Cl  -7.5526687788  -1.4133279834   1.5221287664
O    2.7279070958  -0.0106775919   1.4465223618
O    3.4703032733   0.1710743212  -0.6511481958
O   -2.6263791483  -1.2738784810  -1.6411357892
N    3.7280424532   2.5626954859   0.7868743034
N    4.6535362175   2.9520094076  -0.0920618110
N    5.4784559478   3.0049770875   1.9887443602
C    2.4397193855   0.5588711937   0.1990925770
C    3.6948302539  -1.0521295105   1.2882854703
C    2.4415785225   2.0822519881   0.3596074725
C    3.8738560202  -1.1137061473  -0.2247865659
C    1.0766768310   0.0817956257  -0.3008724062
C    3.2274400550  -2.3461373244   1.9093335430
C    0.6483291570   0.2440001645  -1.6182007177
C    0.1863207853  -0.5316431902   0.5759802261
C   -0.5951109642  -0.1936064249  -2.0439776415
C   -1.0593100602  -0.9854297863   0.1777202114
C   -1.4458771100  -0.8154349577  -1.1434688007
C    4.2350234514   2.5916487881   2.0224409494
C    5.6826668501   3.2091481708   0.6717446374
C   -3.7460743191  -1.2857092354  -0.8549549455
C   -4.1165678774  -0.1874736320  -0.0898585527
C   -4.5449393698  -2.4177361404  -0.8967894836
C   -5.2893952854  -0.2299841019   0.6461463573
C   -5.7250790789  -2.4561179505  -0.1704213110
C   -6.0857824407  -1.3641291104   0.6020513079
H    4.6221114144  -0.7266629686   1.7709777396
H    1.6905226002   2.3620299766   1.0979524044
H    2.1879919420   2.5798082780  -0.5735787911
H    4.9069688952  -1.2771847182  -0.5287722353
H    3.2511541879  -1.8983689009  -0.6738673785
H    3.9932954336  -3.1125187051   1.7785596713
H    2.3084227293  -2.7085440028   1.4461986505
H    3.0561020881  -2.2362868022   2.9804787278
H    0.4730082771  -0.6719588208   1.6083853342
H   -0.9044779957  -0.0578254199  -3.0719281571
H   -1.7033989944  -1.4729740729   0.8974573392
H    3.6672250432   2.3225580191   2.8988197642
H    6.6170553330   3.5653363119   0.2660049319
H   -3.5067525316   0.7066235261  -0.0630761932
H   -4.2521498420  -3.2678837342  -1.4991673173
H   -5.5781422040   0.6249191578   1.2421488622
H   -6.3482454095  -3.3392160180  -0.2055418217
*