! 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    0.4009553700  -1.0222836979   0.2743368138
O   -1.9503506198  -0.0737549510  -1.7674439551
O   -0.3611330009  -0.8514345948   2.3698111980
O   -0.4459293590   3.0418927308  -1.7653062159
N   -0.3768859476   1.6483141819   0.0240376076
N    1.5912698430   2.3305778132  -1.0809821347
N    3.6023927696   3.1211828124  -1.5014547468
C    0.3296809195   1.1425845557   1.1959994226
C    0.0080531277   1.9276718396   2.4660872182
C   -1.8343655182   1.5338576912   0.0421213344
C    0.0680064138  -0.3535965987   1.3621872245
C    0.1761395195   2.3678047803  -0.9745500306
C    0.2647256657   3.4170885417   2.3080090811
C   -2.3028776585   0.2337780121  -0.5011112300
C    0.1861123267  -2.4426647808   0.2419440450
C    1.3058120620  -3.2105098201   0.9167376377
C   -3.0479611098  -0.7660868336   0.0275673307
C    1.1159002003  -4.7195616377   0.7407449043
C    2.4331841429   1.2402442034  -1.1440324043
C    2.3548909942   3.4334943884  -1.3249920915
C   -3.1599805809  -1.7619817087  -0.9907179188
C   -2.4686270316  -1.2877465836  -2.0511104876
C    3.6624226371   1.7555983517  -1.4030931525
C   -0.1282698038  -5.2273406246   1.3985845752
C   -1.1461871696  -5.7996188890   0.7670192778
H    1.4029218738   1.2444770215   1.0282309549
H   -1.0181271401   1.7555103023   2.7962738285
H    0.6469427333   1.5319881503   3.2576626374
H   -2.2656873331   2.3683317495  -0.5094385147
H   -2.1949790530   1.6304377119   1.0656481882
H    1.2830531801   3.6185473254   1.9690579148
H   -0.4227908117   3.8863192919   1.6026600186
H    0.1357061310   3.9251832664   3.2637164102
H    0.1426948541  -2.6884288965  -0.8190962116
H   -0.7857338600  -2.6777280101   0.6772193880
H    1.3504379959  -2.9681062971   1.9811466806
H    2.2638242692  -2.9187502401   0.4796989715
H   -3.4614366238  -0.7959430966   1.0230402457
H    1.9844224880  -5.2227177753   1.1752347761
H    1.1079883364  -4.9729374400  -0.3232310229
H    2.0875204202   0.2268851123  -1.0362308756
H    1.9373469991   4.4282472009  -1.3363041491
H   -3.6764934848  -2.7062264162  -0.9316378727
H   -2.2677403521  -1.6817913025  -3.0345759674
H    4.5865681003   1.2142644816  -1.5311131613
H   -0.1848125038  -5.0944510329   2.4764703877
H   -2.0237678594  -6.1425579131   1.3007359629
H   -1.1422375089  -5.9502042672  -0.3069453354
*