! 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   5.9381115221   0.1163245612  -0.3002704605
O   -2.7282404321   0.0831839373   1.6473641056
N   -2.1344550436  -1.7603335884  -0.5647017790
N   -2.2254686893  -2.5102526609   0.5381613453
N   -0.6967045289  -3.3596320498  -0.8508670798
C   -3.1356791270   1.8818691399   0.0702047226
C   -2.4343542988   0.5253504231   0.3506846368
C   -2.3254870740   2.4147942545  -1.1177580476
C   -0.9628564592   0.8429940232   0.1049155434
C   -0.8730349536   2.0312852490  -0.8149798978
C   -2.8877138279  -0.5352682979  -0.6822355797
C   -2.9534531889   2.8079608150   1.2766396669
C   -4.6227431887   1.7697332269  -0.2398013573
C    0.0213073749   0.1111623827   0.6352093835
C    1.4644557960   0.1936401971   0.4096209960
C   -1.2115642354  -2.2717717442  -1.3777327526
C    2.2381363993  -0.9230155887   0.7475877337
C    2.1319535729   1.2971885685  -0.1314226349
C   -1.3468870310  -3.4594888534   0.3213685853
C    3.6045081483  -0.9599275638   0.5337086117
C    3.5007883005   1.2792115810  -0.3445768748
C    4.2293247314   0.1467457627  -0.0191201896
H   -2.4516485436   3.4909332132  -1.2454551946
H   -2.6595784507   1.9530141315  -2.0504726237
H   -0.3656725753   2.8593483121  -0.3134006996
H   -0.2956408864   1.8209390493  -1.7191882502
H   -2.7650411280  -0.1798290708  -1.7034922724
H   -3.9417195895  -0.7747030725  -0.5369811519
H   -1.9140620178   2.8896556459   1.6014012710
H   -3.2933432077   3.8137293693   1.0212564989
H   -3.5376174533   2.4757601437   2.1348281996
H   -5.1657808834   1.2726387653   0.5667125876
H   -5.0566302027   2.7651149337  -0.3553815695
H   -4.8259658008   1.2300052289  -1.1664569673
H   -2.6158146588  -0.8775794979   1.7026711906
H   -0.2620738066  -0.7020621282   1.2980569145
H   -0.9572128107  -1.8308198092  -2.3285852404
H    1.7584009046  -1.7925396389   1.1799782236
H    1.5986290813   2.2011374418  -0.3817267795
H   -1.1741816855  -4.2508238354   1.0340122228
H    4.1716932470  -1.8429627747   0.7954079033
H    3.9910389437   2.1486655749  -0.7613711878
*