! 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  -4.8663805012  -1.7847007602  -0.9991993056
O    1.8453313421  -1.6846737513  -0.3729340797
N    1.9566108688  -0.2995735469  -0.6850850012
N    2.0360311792   4.1311767306   0.9044001472
C    2.2041868164   0.3498662294   0.6176645442
C    1.2808762043  -0.4851059575   1.5413633158
C    0.9211169850  -1.7155484556   0.6845768292
C    1.7258836195   1.7839727893   0.4917212382
C    3.6506963986   0.2381986438   1.0982456490
C   -0.5181154645  -1.7196602862   0.2211134321
C    2.9839280167  -0.1655641043  -1.6867426914
C    0.5086818663   2.0657306828  -0.1269816802
C    2.4419241815   2.8672986322   0.9863359959
C   -0.8808295911  -1.5878507882  -1.1135749133
C   -1.5243614070  -1.8833522923   1.1703723106
C    0.0771902888   3.3758991397  -0.2195680858
C   -2.2165795430  -1.6029900786  -1.4934267737
C   -2.8610504571  -1.9061701477   0.8082522821
C    0.8777750625   4.3768676241   0.3113703305
C   -3.1967863448  -1.7616850430  -0.5292735546
H    1.8162612761  -0.7797340049   2.4436711817
H    0.3967933604   0.0658075709   1.8582222676
H    1.1114793324  -2.6417669301   1.2328019658
H    4.3491144278   0.8024023984   0.4791204740
H    3.9696751356  -0.8048889614   1.0997664672
H    3.7484078056   0.6008304796   2.1216607557
H    3.1338943228   0.8955226241  -1.8850455786
H    2.6469978351  -0.6251253236  -2.6162554361
H    3.9482560472  -0.6070005423  -1.4122720850
H   -0.0941199824   1.2644693730  -0.5351144105
H    3.3949905399   2.7212036168   1.4803225999
H   -0.1281302072  -1.4661224977  -1.8797262630
H   -1.2676978334  -1.9998817784   2.2173392995
H   -0.8622674029   3.6224685470  -0.6956185035
H   -2.4831574538  -1.4926076168  -2.5361681624
H   -3.6273659365  -2.0378824461   1.5603520393
H    0.5701211712   5.4151801723   0.2549006391
*