! 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    3.8765630764   0.8186444473  -0.7316972520
O    1.7575005367   1.0608552256   1.5481939318
O    1.8964352907   1.6400099876  -1.3358606368
N    0.7687172391  -0.4664450633   0.2376098844
C    2.0101572991  -0.6248924477  -0.5160464726
C   -0.2824362034  -1.3973838080  -0.0084913573
C   -1.0680407444  -1.2402099373  -1.1602629968
C   -0.4976269147  -2.4605466711   0.8759422283
C    0.7537962538   0.4251506858   1.2603636033
C   -0.5581097699   0.6565652162   1.9852258471
C    2.9928252896  -1.5736019915   0.1534047934
C    2.5656735300   0.7496860321  -0.8780839849
C   -2.0706791829  -2.1675907645  -1.4112342779
C   -1.5223214992  -3.3624551213   0.5909445220
C   -1.5859173254   1.2976631043   1.0886361000
C   -0.8678842545  -0.0943209746  -2.1027896914
C    0.2908231845  -2.6722485833   2.1368409261
C   -2.2997177786  -3.2236358941  -0.5431633209
C   -1.3373777508   2.5453218155   0.5194913715
C   -2.7861350957   0.6569227827   0.8031333919
C   -2.2717577725   3.1382499356  -0.3167295736
C   -3.7219611897   1.2474100916  -0.0344914667
C   -3.4671854163   2.4892611511  -0.5980130605
C    4.5114252375   2.0421203250  -1.0984631736
H    1.7311472019  -1.0676747649  -1.4774603696
H   -0.3358016293   1.3076483115   2.8315971827
H   -0.9510335928  -0.2719640022   2.4000718743
H    3.8561950109  -1.7521097956  -0.4860046030
H    3.3464653018  -1.2008853684   1.1134020920
H    2.5149264913  -2.5403023342   0.3124059093
H   -2.6890589800  -2.0516269243  -2.2930139883
H   -1.7027522367  -4.1862175032   1.2716085698
H   -0.0246097829  -0.2651721952  -2.7766313478
H   -1.7510556865   0.0415770366  -2.7254851588
H   -0.6764720520   0.8385865099  -1.5778813109
H    1.1433504822  -2.0072789417   2.2458964041
H   -0.3428152641  -2.5343351860   3.0155786048
H    0.6704567466  -3.6937801149   2.1835977279
H   -3.0884030099  -3.9355537767  -0.7510778499
H   -0.4069082614   3.0599054497   0.7303797006
H   -2.9900892709  -0.3168395577   1.2324789427
H   -2.0652834745   4.1086163773  -0.7501343609
H   -4.6499171297   0.7327688607  -0.2493123980
H   -4.1953777505   2.9498957309  -1.2533799608
H    4.1402363924   2.8775194456  -0.5044444977
H    4.3762284109   2.2637405450  -2.1573257359
H    5.5696485445   1.9021934728  -0.8949424707
*