! 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  -0.3988017106  -0.2395028262  -1.9960826233
Cl  -4.5412222786  -1.9711030843   0.8998802642
O    3.2926563461  -0.8973766311  -0.2872038501
N    1.9928647264  -1.2906674506  -0.2408071882
N    2.4163656331   3.4360536917  -0.9255765169
C    1.7558795523   0.5523544233   1.3995486761
C    1.2873283846  -0.6155485699   0.5696882208
C   -0.1523890397  -0.9587271228   0.6157316231
C    1.5354674149   1.8117167511   0.6034285245
C   -0.9945575397  -0.8336251000  -0.4882327922
C   -0.7167013452  -1.3881400102   1.8148037432
C    0.2871620811   2.4183364547   0.5295512586
C    2.5636767810   2.3726018910  -0.1475751318
C   -2.3448613186  -1.1423993609  -0.4091571946
C   -2.0579267646  -1.7091380536   1.9192507840
C   -2.8604690634  -1.5832766491   0.7969033805
C    0.1208447885   3.5259812283  -0.2847385805
C    1.2139509600   3.9932224875  -0.9967873977
C    3.9928682577  -1.6522479820  -1.2574511390
H    1.1824370972   0.5933877289   2.3268576324
H    2.8054095065   0.4475605792   1.6722999789
H   -0.0876878603  -1.4860269029   2.6906042670
H   -0.5472244901   2.0324194829   1.1031578030
H    3.5564119870   1.9361060089  -0.1126537151
H   -2.9820264584  -1.0339856009  -1.2758507348
H   -2.4656795797  -2.0509616584   2.8601501439
H   -0.8370273599   4.0211798050  -0.3671187308
H    1.1160952942   4.8570237011  -1.6448321803
H    3.9895666644  -2.7194459858  -1.0241067955
H    5.0192725087  -1.2905487247  -1.2397778318
H    3.5831898255  -1.5036120623  -2.2591394018
*