! 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   -1.5976879498  -1.8261771547  -0.4407344179
O    0.5719167949   0.4218317667  -1.3857666766
N    1.4694683472   1.1738397276   0.5682287162
C   -0.9061727490   1.0747798763   0.3513630612
C    2.8477190719   1.1344632091   0.3253916127
C    0.4449335395   0.8467569222  -0.2535059456
C   -1.9176867666   0.1153057702   0.3075170719
C   -1.1906703233   2.3189349134   0.9130140763
C    3.4310834510   0.6875299724  -0.8603316009
C    3.6717642551   1.5724543383   1.3651882827
C   -3.1772720459   0.3958677174   0.8178160459
C   -2.4499700659   2.6078990088   1.4128637739
C    4.8150964429   0.6811447055  -0.9803285183
C    5.0480537436   1.5593558674   1.2300148032
C   -3.4434878303   1.6439709359   1.3631363679
C    5.6325765353   1.1106962655   0.0530470028
H    1.2161277514   1.4590859100   1.5030925934
H   -0.4231963942   3.0827080006   0.9398685799
H    2.8321174222   0.3417753166  -1.6862468091
H    3.2293527418   1.9269273635   2.2890736323
H   -3.9594418487  -0.3506036562   0.7956005692
H   -2.6513038119   3.5832160427   1.8345434470
H    5.2533667780   0.3283382528  -1.9050524736
H    5.6633810321   1.9025351594   2.0513811689
H   -4.4323141063   1.8532142865   1.7491196018
H    6.7088764036   1.0962495671  -0.0552627511
*