! 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  -0.1569605260   0.8526654400  -2.4827392440
Cl   4.0258261805   1.3530861212   0.7791216351
N   -1.2357116282  -2.2790549391  -0.1468169022
N   -0.0583361846  -2.5326222175  -0.7184354008
N   -0.3456244505  -3.8288758124   1.0836765560
C   -1.8518389330   0.1024080454   0.1217009498
C   -2.7675299510   1.1956768502  -0.4436542796
C   -2.0913872996  -1.2167953140  -0.6235868533
C   -0.3844781184   0.4570788457   0.2139936680
C   -2.5996534988   2.5649720076   0.2057001401
C    0.4445943409   0.7862284559  -0.8571137924
C    0.2215451582   0.4162485563   1.4686891455
C   -2.9025528335   2.5884070186   1.6965587583
C    1.7929723797   1.0662443209  -0.6956539758
C    1.5648901623   0.6852936257   1.6681356323
C   -1.3911984549  -3.0509808882   0.9302904119
C    2.3428831499   1.0115792746   0.5727294037
C    0.4381197011  -3.4694221570   0.0488583433
H   -2.1755846522  -0.0762144018   1.1515228519
H   -2.6305841510   1.2895217301  -1.5215012815
H   -3.7997844641   0.8590238935  -0.3020061979
H   -1.9244024585  -1.1204452826  -1.6938939207
H   -3.1281766069  -1.5223515523  -0.4825260137
H   -1.5878481739   2.9405816951   0.0277818886
H   -3.2689508349   3.2623485748  -0.3042837748
H   -0.3809217456   0.1543410079   2.3295560029
H   -3.8992673306   2.1928877878   1.9055412404
H   -2.8656286692   3.6061372320   2.0876892085
H   -2.1884742836   2.0006442890   2.2761025231
H    2.4044621050   1.3170002242  -1.5513805930
H    1.9893943134   0.6366238814   2.6612530316
H   -2.2704964310  -3.0189033362   1.5551962048
H    1.4010992006  -3.9150327326  -0.1482164177
*