! 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   0.4177661940  -0.3761786661  -1.9270285806
Cl  -4.4953951827   0.9322261357  -0.2473321101
O    0.5061709217  -3.1096239032  -0.1782141031
N    1.3971756237  -2.3966326866   0.5578039975
N    1.6192134727   3.1105318414   0.3627412701
C    1.8339810665  -0.3834075134   1.7540033384
C    0.9419783851  -1.2756287122   0.9401433273
C   -0.4105923582  -0.7633011421   0.6163310168
C    2.1728080850   0.8575336470   0.9720190998
C   -0.7463989844  -0.3120187593  -0.6559187361
C   -1.3722885558  -0.6763038400   1.6168144228
C    3.2315747113   0.8742556193   0.0725183371
C    1.4016920752   2.0097787421   1.0711128682
C   -1.9975882488   0.2142421079  -0.9332402439
C   -2.6347681285  -0.1660119151   1.3655810125
C   -2.9317296075   0.2775878761   0.0875592952
C    3.4754802826   2.0198146573  -0.6649351352
C    2.6367164579   3.1097928334  -0.4882863257
C    1.0738562167  -4.3038814218  -0.6878463040
H    1.3261815605  -0.1117674785   2.6835755431
H    2.7403330173  -0.9260805159   2.0247130931
H   -1.1327571544  -1.0189905852   2.6155160953
H    3.8584787661  -0.0012552846  -0.0482837372
H    0.5668124002   2.0448374253   1.7648955774
H   -2.2369820340   0.5675194557  -1.9266547699
H   -3.3699698875  -0.1151669012   2.1564765400
H    4.2953822141   2.0695585275  -1.3685359956
H    2.7956027537   4.0201664390  -1.0556229334
H    0.4926988757  -5.1595850413  -0.3389813288
H    2.1070284203  -4.4242422526  -0.3628861797
H    1.0481257906  -4.2813178193  -1.7789435878
*