! 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   1.6218474427   1.7321977502   1.9602266519
Cl   4.5636473017  -0.5048773858  -1.8770494649
O   -1.7345094418  -0.7521698592   0.2352227058
O   -0.7989845245   0.0228388364   2.1309922619
N   -1.3779159083   1.8423856360  -1.0081886861
N   -0.3689873612   2.5104965057  -1.5702467107
N   -1.8046012309   1.7996585089  -3.1338113475
C   -0.8392988038   0.1917259310   0.7405207663
C   -1.9797009122  -1.7401711910   1.2350994053
C   -1.7767751541  -0.9345580046   2.5044174403
C   -3.3702603096  -2.3090039922   1.0486050525
C   -1.4009618590   1.5836525689   0.4087989616
C    0.5482538071  -0.0024225360   0.1388855642
C   -3.7763082189  -3.2975833136   2.1396390184
C    1.6824481861   0.6628387453   0.5996292713
C    0.7037529708  -0.8269720835  -0.9703337588
C   -2.9250072405  -4.5575586686   2.1977018767
C    2.9183881260   0.5123631667  -0.0095127506
C    1.9253564970  -0.9980184873  -1.5987277325
C   -2.2241016051   1.4203785166  -1.9509545832
C    3.0265084949  -0.3199252273  -1.1094772342
C   -0.6673951719   2.4615401846  -2.8418880700
H   -1.2217620719  -2.5300739096   1.1595594809
H   -2.7039618940  -0.4429135201   2.8245234583
H   -1.3903062622  -1.5221255163   3.3374629705
H   -3.4283814428  -2.8012733275   0.0735081662
H   -4.0842669051  -1.4803419968   1.0277748217
H   -0.8243126458   2.3650482626   0.8965888049
H   -2.4278018743   1.6505831108   0.7700090763
H   -4.8167809499  -3.5798583871   1.9629338374
H   -3.7689230656  -2.8023438236   3.1158120324
H   -0.1518411495  -1.3548050722  -1.3666821408
H   -1.8886392098  -4.3512776022   2.4701926105
H   -3.3160193525  -5.2547455967   2.9402231188
H   -2.9154223155  -5.0750474936   1.2360665680
H    3.7814697111   1.0414148522   0.3697927071
H    2.0066464441  -1.6475124023  -2.4591419317
H   -3.1178524647   0.8578347239  -1.7330216305
H   -0.0434489717   2.9253052780  -3.5899122071
*