! 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  -4.6640749686   1.7453723236  -2.7662964807
O    2.3213173002   1.5335514602   0.5021174092
O    1.8119556157  -2.3244079094  -1.6016013218
N    2.2659867920  -0.6102234720  -0.1863232436
N    1.0999113112  -2.5243336121   0.5391587680
N   -0.4912066727  -3.7010258541   1.5003612312
C    1.9228179056   0.2721351070   0.9773488348
C    3.0532681247   0.1458990927  -1.1907728284
C    3.4327900119   1.3523517192  -0.3381987258
C    0.4181440106   0.3357197689   1.2400651317
C    2.7231554919  -0.0770379300   2.2305773832
C    4.2970641903  -0.5965141264  -1.6533380918
C    2.1902708159   0.5953639832  -2.3693055814
C   -0.0155543602   1.5221698413   2.0944870102
C    1.7553382681  -1.8052604751  -0.5070736145
C   -1.5231779542   1.5016143321   2.3681216696
C   -2.3429348562   1.5641867094   1.1098599521
C    1.6545105789  -3.0744536513   1.6693791649
C   -0.1881442279  -2.9575800160   0.4776624446
C   -2.9698671781   0.4323124400   0.5973620346
C   -2.4526194423   2.7552474977   0.3947768198
C    0.6524855108  -3.7916487771   2.2462791146
C   -3.6854415144   0.4766474842  -0.5910766206
C   -3.1621097913   2.8211819522  -0.7940844853
C   -3.7739395939   1.6751610697  -1.2789325004
H    4.3516033348   1.1708027249   0.2336365681
H    3.5773556886   2.2544596710  -0.9317516950
H    0.0978813842  -0.5779912791   1.7424282647
H   -0.0984496343   0.3712364726   0.2771483067
H    3.7579081668  -0.3301668644   1.9999926239
H    2.2856107668  -0.9092692153   2.7758834484
H    2.7322995652   0.7794891441   2.9046870638
H    4.0668220859  -1.4190025628  -2.3265258400
H    4.8618224039  -0.9896305714  -0.8073880226
H    4.9473537261   0.0952778817  -2.1914347714
H    2.7865663016   1.2128045089  -3.0428227932
H    1.8107108517  -0.2456214136  -2.9448863623
H    1.3408594610   1.1940215750  -2.0369009849
H    0.5020861632   1.5109496644   3.0568359138
H    0.2479270975   2.4625570716   1.6068801478
H   -1.7707665044   2.3489041613   3.0120672725
H   -1.7789350261   0.5998372812   2.9301189018
H    2.6910440956  -2.9502447734   1.9303904742
H   -0.8504242861  -2.6732897342  -0.3255541251
H   -2.8995276055  -0.5090577947   1.1298322208
H   -1.9777081746   3.6546991959   0.7692320768
H    0.6987409805  -4.3748331583   3.1525906789
H   -4.1641024731  -0.4155106866  -0.9719847599
H   -3.2370232845   3.7562240537  -1.3331501468
*