! 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   -2.9841482098   0.6480194753  -0.3197659137
O    3.0803491049  -1.8099320941  -0.9944948211
N    0.9366140122  -2.2200320670  -0.5026574235
C   -2.2879197834   1.8384168912  -0.7024704888
C   -2.3215446429  -0.5012498500  -0.0940339103
C   -0.3966250654  -1.9485272900  -0.1539976612
C    1.9708700702  -0.1090286929   0.2074365040
C   -0.9835361075  -0.7120491398  -0.4146409553
C    2.3415730807   1.0648423091  -0.4600516874
C   -3.3442460304   2.7914705558  -1.2220103220
C   -1.5232748842   2.4177146173   0.4740754674
C    2.0359370890  -1.4262233284  -0.4925290359
C   -3.0748944673  -1.5378922020   0.4607589497
C   -1.1447324700  -2.9811111373   0.3987553821
C    1.6611622908  -0.0872840406   1.5634773209
C   -2.4837073100  -2.7654848495   0.6908452291
C    2.3851694115   2.2459269590   0.2750950907
C    2.6693049996   1.0777100417  -1.9249649801
C    1.7351418688   1.0960953625   2.2818997811
C    2.0986295049   2.2656756368   1.6325100331
H   -1.5973447226   1.6138555243  -1.5231682870
H   -0.3961966713   0.0627758439  -0.8841408710
H    1.1118986919  -3.1575032913  -0.8406819346
H   -2.8762973286   3.7191185265  -1.5514177941
H   -3.8777041733   2.3689152851  -2.0743875384
H   -4.0723225250   3.0401901819  -0.4476246191
H   -0.7771587275   1.7295510828   0.8727374688
H   -2.2052097045   2.6837624157   1.2842173728
H   -0.9966966561   3.3215561468   0.1669563550
H   -4.1187343113  -1.3729362887   0.6960602545
H   -0.6859225335  -3.9410535539   0.5983887268
H    1.3777952163  -1.0024474905   2.0688249690
H   -3.0726672140  -3.5679615720   1.1156531036
H    2.6565645347   3.1679046566  -0.2251615758
H    2.7450744364   2.0995307111  -2.2950607104
H    3.6190943263   0.5830491488  -2.1302585103
H    1.9089790209   0.5699110245  -2.5216630609
H    1.5100931452   1.1022833311   3.3402035010
H    2.1572593497   3.1973015547   2.1806892933
*