! 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   -1.2090444580  -0.8410973385  -0.3350099421
O    1.6999707821  -0.9357130207  -1.0370468896
O   -2.9794860429   0.0918620368   0.6731529051
O   -0.9736133855   2.0408846887  -0.8783008362
N    0.4042042302   1.1048091021   0.6484464821
N    1.2622108958   2.3196299603  -1.1736275411
N    2.5012377998   2.7923721402  -2.9283806063
C   -0.7513304545   0.6459226974   1.4160588782
C   -1.3477008836   1.7451415050   2.2878184188
C    1.6916389427   0.4708701547   0.9279003424
C   -1.7909755165  -0.0400413286   0.5337627903
C    0.1424515010   1.8156342900  -0.4623970173
C   -0.3403664726   2.3154979048   3.2734277235
C    1.7994148619  -0.8721638795   0.3064833299
C   -1.9961578254  -1.5973151704  -1.2608703444
C   -2.2674317498  -3.0146736587  -0.7972881566
C    1.9637385678  -2.1142928399   0.8185999087
C   -3.2124269264  -3.1602039118   0.3921714270
C    2.2986823023   3.1021688390  -0.7162795452
C    1.4322910877   2.1798327948  -2.5170931276
C    1.9520001064  -3.0089086547  -0.2953397555
C    1.7796236463  -2.2343747619  -1.3905401667
C    3.0451284374   3.3804136780  -1.8171935517
C   -2.6424933753  -2.9590816603   1.7638478327
C   -1.3612750989  -2.9190106508   2.1110018984
H   -0.3810195712  -0.1450202566   2.0789603424
H   -1.7591540149   2.5416576594   1.6653157600
H   -2.1868526978   1.3187918591   2.8392895331
H    1.7996789521   0.3731609864   2.0071347084
H    2.5086245674   1.1134550257   0.6057080750
H   -0.8113711155   3.0704865428   3.9032579849
H    0.0579187184   1.5436649551   3.9354204333
H    0.5017961442   2.7968869017   2.7741081720
H   -1.4039828607  -1.6196332277  -2.1757785143
H   -2.9294983101  -1.0760077870  -1.4826428488
H   -1.3228962046  -3.5365865587  -0.6207606065
H   -2.7224914552  -3.5146415539  -1.6566151149
H    2.0694885841  -2.3653187670   1.8621269332
H   -3.6476271671  -4.1658948442   0.3724040272
H   -4.0662900668  -2.4889291570   0.2637578373
H    2.3893925649   3.4144500274   0.3104924921
H    0.7517488948   1.6035096077  -3.1242516916
H    2.0539499575  -4.0818423752  -0.2773547078
H    1.7099800815  -2.4545651522  -2.4439365683
H    3.9406450405   3.9794317159  -1.8697815103
H   -3.3881424166  -2.8803568409   2.5503475123
H   -1.0723545458  -2.8079689724   3.1490983996
H   -0.5526879727  -2.9901875770   1.3952206437
*