! 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   1.9509357607  -0.5841967435  -2.0216364320
Cl   0.7788868940  -5.4347650856  -0.1531587051
O   -0.9052693892   0.8744721147   1.1546309694
O   -0.1529335985   1.1359883100  -0.9447461939
N    1.4052473609   2.5928935436   0.8745411517
N    0.8565771536   3.3018419014   1.8634469965
N    1.5137190990   4.6525415520   0.2025905667
C    0.1477824847   0.5606984491   0.2955565313
C   -2.0164442876   1.3419874330   0.3940772008
C   -1.3158579264   1.9383595278  -0.8160400593
C   -2.9938074423   0.2234047944   0.0566812562
C    1.4357353621   1.1560135968   0.8892677483
C    0.3187216868  -0.9475602887   0.1455005429
C   -4.3030119533   0.7206559932  -0.5528612414
C    1.0961906314  -1.5335356046  -0.8523091327
C   -0.2898537585  -1.8006019224   1.0609099299
C   -5.1830191680   1.5020936911   0.4124801854
C    1.2416275033  -2.9095420534  -0.9518794830
C   -0.1620541904  -3.1766851589   0.9852242838
C    1.7850892617   3.4095805793  -0.1123781831
C    0.6035457969  -3.7206942585  -0.0305096800
C    0.9482088690   4.5291547246   1.4208469210
H   -2.5030517005   2.1120745227   0.9952901703
H   -1.8921816640   1.8637347519  -1.7391662917
H   -1.0572123316   2.9909545776  -0.6612150270
H   -3.2156413219  -0.3376771098   0.9694239994
H   -2.5198032647  -0.4803472636  -0.6341961328
H    2.3076674225   0.8270574764   0.3266465560
H    1.5626628900   0.8161696697   1.9162278973
H   -4.8584523413  -0.1483272383  -0.9130598767
H   -4.1016688140   1.3275793155  -1.4410122947
H   -0.8873490834  -1.3840224656   1.8588789954
H   -6.1322938133   1.7676480380  -0.0548130306
H   -5.4105182413   0.9133410274   1.3033822787
H   -4.7207109885   2.4331088773   0.7438972533
H    1.8463507635  -3.3376793132  -1.7391250748
H   -0.6554106814  -3.8087468159   1.7100675102
H    2.2511111498   3.0597291697  -1.0195600987
H    0.5992497947   5.3704136594   1.9988409763
*