! 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   0.8633062016   0.0929474561  -3.0159606745
Cl   2.8351377765  -4.0968358110  -0.3817098554
O   -1.4069442065   0.8413064909   0.7986108465
O   -1.4611325308   1.0088230576  -1.4462472944
N    1.2533027271   2.0525868739   0.7649333546
N    0.9205828042   2.4059478433   2.0083340934
N    3.0198245007   1.6250231227   1.9501828555
C   -0.6079208594   0.8716001027  -0.3443418570
C   -2.7282311127   1.2444962264   0.4537731623
C   -2.7955148513   0.8282202935  -1.0040882225
C   -3.7333162514   0.5756223996   1.3659889119
C    0.3099209093   2.1103604073  -0.3193331793
C    0.2157714842  -0.4101223032  -0.4014849000
C   -5.1622564260   1.0034592015   1.0466780086
C    0.9199169036  -0.8094639219  -1.5363995224
C    0.3540937495  -1.1949848874   0.7400712197
C   -6.1822030603   0.3584920647   1.9716463019
C    1.7195474117  -1.9429333924  -1.5422337723
C    1.1492251977  -2.3280540810   0.7637378215
C    2.5057834986   1.5849186113   0.7456469493
C    1.8280150481  -2.6927782170  -0.3846752287
C    2.0087231872   2.1357982925   2.6820786494
H   -2.8170704425   2.3362239716   0.5417977682
H   -3.1087489592  -0.2183161444  -1.1106956339
H   -3.4498852423   1.4543717539  -1.6099874155
H   -3.5010181489   0.8319789630   2.4038050610
H   -3.6370809439  -0.5113838332   1.2766825924
H   -0.2937840863   3.0118099965  -0.2122797775
H    0.8664028249   2.1943442726  -1.2516547767
H   -5.4075274891   0.7487616823   0.0110077325
H   -5.2403059969   2.0924493575   1.1198208690
H   -0.1676181485  -0.9183344106   1.6445318597
H   -6.1641741859  -0.7297842280   1.8872488690
H   -5.9893716006   0.6115489400   3.0158935952
H   -7.1943356796   0.6891614415   1.7347670164
H    2.2514301816  -2.2295598658  -2.4387228555
H    1.2349473391  -2.9106765781   1.6703844233
H    2.9942240083   1.2445481155  -0.1557039234
H    2.0793303982   2.3197526817   3.7433870978
*