! 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   -3.5830923563   1.0831265801  -0.8308510988
O    1.9007619095  -2.2160592495   0.5685793448
N    0.7618898108  -0.2691026199   0.2417813933
C   -4.9804842232   0.9125199025  -1.0902228519
C   -2.7845844061   0.0193544648  -0.6298258102
C   -0.5313775011  -0.6910862903  -0.0814344084
C    3.0892979034  -0.1742624667   0.7831280168
C   -1.4656312581   0.3176349645  -0.2980009861
C    3.5900100041   0.7618774622  -0.1286512288
C   -5.7335098042   0.5818476120   0.1857414537
C   -5.4546004652   2.2123473677  -1.7054144170
C    1.8718799413  -0.9997774768   0.5078689553
C   -3.1773629836  -1.3130488513  -0.7452004277
C   -0.9181777173  -2.0284000133  -0.1965003012
C    3.7427033116  -0.4048535708   1.9927221348
C   -2.2339502977  -2.3065876153  -0.5271075136
C    4.7313964977   1.4773971212   0.2332765227
C    2.9712973039   1.0099284241  -1.4760524578
C    4.8659605001   0.3262214356   2.3368950179
C    5.3573416738   1.2767921205   1.4523565996
H   -5.1201739771   0.1115794841  -1.8244034842
H   -1.1732559553   1.3586500883  -0.2126806156
H    0.8733596593   0.7315122689   0.3096527142
H   -5.6491549185   1.3939168074   0.9102271464
H   -6.7919083100   0.4391269887  -0.0357654214
H   -5.3770000821  -0.3324412790   0.6610684032
H   -6.5146220422   2.1412380580  -1.9499082187
H   -4.9175022181   2.4376991727  -2.6274968055
H   -5.3262677336   3.0497827138  -1.0170797884
H   -4.1891268478  -1.5959639136  -0.9980580917
H   -0.2253119982  -2.8360659909  -0.0330690909
H    3.3572385721  -1.1499283758   2.6774566802
H   -2.5392302182  -3.3413694574  -0.6152818811
H    5.1405666737   2.2009614869  -0.4618339008
H    2.2516245957   1.8316240487  -1.4473649340
H    3.7383231664   1.2901988913  -2.1982127388
H    2.4569179679   0.1372533156  -1.8757953812
H    5.3560772751   0.1532236658   3.2858036897
H    6.2367241442   1.8544270471   1.7065760431
*