! 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  -2.7749278883  -0.7097573979  -0.0803577798
O   -0.6354134343   3.1211715122  -0.4214618473
O   -2.4405658866   2.1515719921   0.4638866025
N    0.8227984976   0.9974614806   0.0304554357
N    1.1089172968  -1.3374819327   0.0036356366
N   -0.6528717715  -2.7856171618  -0.0696791857
C    3.0300200220   0.0969412979   0.0642627807
C    3.9253448670  -0.8626959879  -0.6766180429
C    3.8967629880  -0.8873742334   0.8065067181
C    1.5688114430  -0.0950499438   0.0322541894
C   -0.5007420184   0.8309071544   0.0106025805
C   -0.2031843579  -1.5324408976  -0.0274503941
C   -1.0812347441  -0.4154230200  -0.0145275885
C   -1.3136495882   2.0918594696   0.0469564223
H    3.3342050955   1.1352497806   0.0865270620
H    4.7889599220  -0.4388664869  -1.1722371257
H    3.4468271118  -1.6736295929  -1.2104194799
H    3.3978430079  -1.7150797455   1.2938025174
H    4.7406844976  -0.4816299170   1.3488755879
H   -1.6322748537  -3.0077191207  -0.0886710227
H    0.0068665814  -3.5448857050  -0.0691986345
H   -1.1808343385   3.9214166370  -0.3681698929
*