! 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  -6.0419083796  -0.1490433181  -0.1422616436
O    0.5200845709   1.2274381475   0.6072379923
N    0.9422225354   1.0036747756  -0.7336685679
N    5.3760416178  -0.1908851160  -0.5065775280
C    1.5899264820  -0.3265197997  -0.6974152646
C    0.6205181579  -1.0823081050   0.2308834919
C   -0.1282740017   0.0367536189   0.9866230405
C    2.9986495002  -0.2700387823  -0.1221405193
C    1.5440669580  -0.8987763153  -2.1083353252
C   -1.6098660478   0.0424652762   0.6959525000
C    1.7655655968   2.1283122142  -1.1038686043
C    3.2361172449  -0.1325055078   1.2447696759
C    4.1253462093  -0.2885932215  -0.9409098213
C   -2.4196474590  -0.8832236219   1.3477899897
C   -2.1965781186   0.9178581968  -0.2100598470
C    4.5348900895  -0.0194828988   1.7108187029
C   -3.7809565209  -0.9525503528   1.0983593833
C   -3.5587565205   0.8623944891  -0.4706446125
C    5.5738703775  -0.0540214836   0.7965114650
C   -4.3400920660  -0.0760122582   0.1823344946
H   -0.0700310146  -1.6898534432  -0.3526611281
H    1.1405054749  -1.7588240272   0.9070127838
H    0.0128693487  -0.0583087789   2.0668121526
H    2.0818938898  -0.2892977768  -2.8351512870
H    0.5087520947  -0.9572878271  -2.4420365029
H    1.9654959068  -1.9036542976  -2.1393287347
H    2.5900152609   2.3337117527  -0.4126431514
H    1.1453083689   3.0216099680  -1.1794137934
H    2.1835639272   1.9422609492  -2.0926703868
H    2.4266595638  -0.1262913108   1.9620458612
H    4.0230499993  -0.3930833929  -2.0141318229
H   -1.9871410986  -1.5677962062   2.0682626716
H   -1.5997183057   1.6510117011  -0.7340055180
H    4.7392733502   0.0864152312   2.7673630821
H   -4.3939589105  -1.6776640396   1.6163390350
H   -4.0008924672   1.5475754785  -1.1812411775
H    6.6029150455   0.0225884063   1.1292025963
*