! 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   -1.4399517788  -1.8524074076  -0.0860233802
O   -0.3128812329   0.2645000254  -2.4941856111
N    1.6592801287   0.6605538997  -1.4954219187
C   -0.4114316066   1.0283150768  -0.2627111310
C    2.5331302380   0.9425331867  -0.4282499202
C    0.3089517724   0.6006729341  -1.5021227606
C   -1.2724529222   0.1806197678   0.4274920092
C   -0.2924076810   2.3517762360   0.1535745827
C    2.3654404434   0.3796868520   0.8332181533
C    3.6230255327   1.7733193234  -0.6726547884
C   -1.9987851732   0.6424718603   1.5161544274
C   -1.0261489512   2.8240477729   1.2287248334
C    3.2645843867   0.6793342213   1.8458300069
C    4.5306662796   2.0474517590   0.3383426470
C   -1.8787226626   1.9677319240   1.9089737484
C    4.3501706916   1.5100957404   1.6053239258
H    2.0913713925   0.5162442309  -2.3993307159
H    0.3758297725   3.0203671655  -0.3747704645
H    1.5501905775  -0.3035584720   1.0305111653
H    3.7576585902   2.2082523596  -1.6555348503
H   -2.6588132150  -0.0189189696   2.0607321962
H   -0.9294655997   3.8568499295   1.5350313761
H    3.1225535010   0.2414343749   2.8252106698
H    5.3761859939   2.6914817801   0.1343932294
H   -2.4545590214   2.3247110321   2.7525827949
H    5.0544754594   1.7300159954   2.3967248604
*