! 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   1.7168182143   2.2517647096   0.9268559152
Cl   5.3244134425  -1.4790009614  -0.2820263493
O   -1.3012701780  -0.8811507482  -0.2705503102
O   -0.7999681946   0.7696435805   1.1694336504
N   -2.0761978451   1.7741088624  -1.0955159149
N   -3.1517852248   1.1706856358  -1.6064176083
N   -3.7517726207   2.9868399565  -0.4413832208
C   -0.4731918898   0.2192701890  -0.0781869737
C   -1.8572049878  -1.2706605452   0.9814876416
C   -1.8916086332   0.0533475008   1.7216614831
C   -3.2117833212  -1.9066000285   0.7635104937
C   -0.7551081387   1.2191938541  -1.2118218328
C    0.9984148958  -0.1812699445  -0.0999208452
C   -3.1767268414  -3.2472528266   0.0354686307
C    2.0276775447   0.6576461047   0.3250969014
C    1.3593438561  -1.4286949705  -0.5987439190
C   -2.5244724804  -4.3665788422   0.8336339083
C    3.3572134388   0.2669521447   0.2748613543
C    2.6784422021  -1.8448331794  -0.6609267632
C   -2.4492402222   2.8496352555  -0.3961678406
C    3.6695149490  -0.9881157197  -0.2173166420
C   -4.1309483624   1.9343181665  -1.1947720238
H   -1.1748074886  -1.9637016276   1.4909540093
H   -2.8354027947   0.5878277340   1.5592662806
H   -1.7405118901  -0.0571874843   2.7958485608
H   -3.8359834502  -1.1991304879   0.2102230008
H   -3.6824181535  -2.0375113367   1.7435185778
H   -0.6620510380   0.7225531148  -2.1769073803
H   -0.0385185538   2.0385122727  -1.1959428844
H   -2.6713879451  -3.1330730948  -0.9273468739
H   -4.2048736467  -3.5324267522  -0.2004092589
H    0.5904823412  -2.1017478423  -0.9509465068
H   -2.5767202387  -5.3135688228   0.2944967758
H   -1.4697869975  -4.1743805478   1.0382660774
H   -3.0239295682  -4.5097237295   1.7942666514
H    4.1352406612   0.9361688007   0.6150913663
H    2.9220580300  -2.8231617422  -1.0509718016
H   -1.7476734446   3.4942305974   0.1098518967
H   -5.1590931153   1.7278245207  -1.4490992630
*