! 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
I   -0.4362852862  -1.7623543681   0.1031298434
O   -1.0587954889   1.0111015506  -2.8753801007
N    0.8889425824   0.9042313511  -1.7650718573
C   -1.2123914152   1.1355494794  -0.5287383331
C    1.7616157424   0.9405960620  -0.6638537825
C   -0.4592087089   1.0038291071  -1.8141551803
C   -1.3148159897   0.1219761709   0.4181887826
C   -1.8933754566   2.3313463165  -0.3121003239
C    1.5752389579   1.7936402126   0.4199056441
C    2.8803392968   0.1105695868  -0.6964649415
C   -2.0435163122   0.3156973913   1.5840365978
C   -2.6137204121   2.5348133697   0.8521220682
C    2.4726164049   1.7698283045   1.4775950796
C    3.7861896468   0.1148502837   0.3509920822
C   -2.6803802184   1.5279091483   1.8037507804
C    3.5786932427   0.9332266218   1.4529900866
H    1.3185289165   0.6956388242  -2.6577283325
H   -1.8330844193   3.1185380308  -1.0530834531
H    0.7468955426   2.4864563172   0.4482462895
H    3.0361682758  -0.5478384810  -1.5424660860
H   -2.1252396589  -0.4713633440   2.3211389887
H   -3.1210828397   3.4760815342   1.0145800513
H    2.3098381675   2.4299364412   2.3195908246
H    4.6503112646  -0.5352569404   0.3087800439
H   -3.2397718124   1.6748969422   2.7180339287
H    4.2782378668   0.9272210843   2.2782316825
*