! 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   3.1981580509   0.8166700011   1.5401139353
Cl  -5.3945123053  -0.3440714536  -1.3302713290
O    0.2681150175   0.5415104780   2.0459838501
N    1.5847799652  -3.3361063764   1.3646918623
N    2.4180222555  -2.6456397824  -0.7291483568
C    0.2794079144   0.1411591247   0.6964639289
C   -1.1537475610  -0.0213246923   0.1852325436
C    1.0092046994   1.2619526282  -0.0471783498
C    1.0281193329  -1.1774279536   0.5295173530
C   -1.4721266729  -0.8712549546  -0.8693143770
C   -2.1751193561   0.7338347606   0.7563009745
C    2.3121714003   1.6367838609   0.2969848591
C    0.4037993900   1.9629240746  -1.0859051528
C    0.9622186552  -2.1736158342   1.4931093931
C    1.7906837179  -1.4853871021  -0.5874520533
C   -2.7701708422  -0.9711400414  -1.3451506624
C   -3.4803707684   0.6357658844   0.3003588452
C    2.9696124167   2.6667913056  -0.3582671103
C    1.0516773819   2.9931227911  -1.7515753004
C   -3.7687813764  -0.2182132649  -0.7508003317
C    2.3368293479   3.3500055067  -1.3842579100
C    2.2849710171  -3.5162849915   0.2563480036
H   -0.7131921543  -1.4738939185  -1.3491728864
H   -1.9678845085   1.4246571580   1.5622666229
H   -0.5994909989   1.7060824922  -1.3940837695
H   -0.3696446306   0.0133425931   2.5398042867
H    0.3945756511  -2.0441270445   2.4078026460
H    1.9093573435  -0.7758489834  -1.3999435283
H   -2.9934090462  -1.6367045697  -2.1677083737
H   -4.2591289850   1.2275641220   0.7614449912
H    3.9766926442   2.9331501187  -0.0675253800
H    0.5450861282   3.5122368600  -2.5539130348
H    2.8548941759   4.1526067004  -1.8918967337
H    2.7985351220  -4.4642499444   0.1488156745
*