! 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
O   -0.1536689986  -0.3530424070   0.7539491155
O   -1.3848605778  -1.3619966866  -0.8516163552
O    6.0875939765   1.2573999549  -0.4523998546
O    3.9821713309   1.9253840215  -0.0402704217
N   -2.2724466621   0.1894000340   0.5797053533
N    4.5334738708  -0.2852035329  -0.2891790000
C   -3.6115665648   0.2460102399   0.1734269165
C   -5.6648976650   1.5431448456   0.1959088737
C   -4.3196083354   1.4015363206   0.5073825092
C    3.3315782637  -0.9441584298  -0.0396932239
C    0.9898342809  -1.0601855143   0.4509290680
C   -4.2623039525  -0.7901863163  -0.4898870744
C   -6.3060101641   0.5037145066  -0.4771086702
C    2.1156136429  -0.2988729866   0.1803710118
C   -5.6053200261  -0.6428098699  -0.8107720207
C   -6.4166866661   2.7803622497   0.5871389430
C    3.3753427792  -2.3400452768  -0.0148965032
C    1.0202842931  -2.4428073734   0.4999304738
C    2.2324340737  -3.0703508237   0.2523563347
C   -1.2939118695  -0.5865163587   0.0657354968
C    4.7902134057   1.0475044064  -0.2400965543
C    6.5334845802   2.6104980261  -0.4287266908
H   -3.8052078233   2.2062997784   1.0221330453
H   -3.7514900143  -1.7036116083  -0.7510682027
H   -7.3542273893   0.5917058752  -0.7367895293
H    2.0301836427   0.7761542947   0.1607541281
H   -6.1103636092  -1.4492787226  -1.3271944182
H   -1.9966758971   0.8536939875   1.2890739725
H    4.3117536652  -2.8549042437  -0.1931215225
H    0.1392748249  -3.0228080166   0.7359460516
H   -5.7456722572   3.5867327203   0.8815063545
H   -7.0385531130   3.1448867829  -0.2311855325
H   -7.0820589247   2.5841129967   1.4305536461
H    2.2883334384  -4.1504180281   0.2778057165
H    5.3289459704  -0.8837449687  -0.4589910802
H    6.3484665688   3.0800277647   0.5376827926
H    6.0666139534   3.2040279126  -1.2150599504
H    7.6053579903   2.5710614708  -0.6035229035
*