! 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   -4.1182444534   0.1304798682  -0.7108434513
O    2.0211105338  -2.1654027038   0.2086804360
N    0.5959993063  -0.4022247451  -0.0474276034
C   -4.0250260313   1.5510044579  -0.8664162026
C   -3.0353144271  -0.6194574014  -0.4431338225
C   -0.6677989947  -1.0011421491  -0.1056058664
C    2.9348390555   0.0268042831   0.1338923128
C   -1.7352053068  -0.1357160922  -0.3711917563
C    3.2131867122   0.7546836291   1.2946717657
C   -5.2744452115   1.9698694663  -1.6129869574
C   -3.9113841906   2.2386672171   0.4819873014
C    1.8149112724  -0.9696778277   0.1072556353
C   -3.2717896297  -1.9825945495  -0.2447430364
C   -0.8996511204  -2.3586195175   0.0899560736
C    3.7219051913   0.1672999678  -1.0032781119
C   -2.2084759255  -2.8226782223   0.0151747968
C    4.2911431581   1.6363065392   1.2679360666
C    2.3853984136   0.6009949896   2.5373037269
C    4.7847172788   1.0575877064  -1.0119754807
C    5.0667362656   1.7943483358   0.1287527763
H   -3.1538606827   1.7951066408  -1.4848224280
H   -1.5211427023   0.9146923201  -0.5222936913
H    0.5981315781   0.6000997739  -0.1695058847
H   -5.2637129627   3.0466486869  -1.7824676742
H   -5.3386095348   1.4821798686  -2.5862194366
H   -6.1756245401   1.7293108444  -1.0461147072
H   -3.8340124811   3.3174466964   0.3406875660
H   -3.0326717033   1.9226543849   1.0449217625
H   -4.7930744273   2.0430694828   1.0947447416
H   -4.2820837776  -2.3670092055  -0.3004054310
H   -0.0998692140  -3.0489371979   0.2975957674
H    3.4981389140  -0.4129780367  -1.8900309393
H   -2.3961196905  -3.8777873456   0.1674916919
H    4.5294862310   2.2063841648   2.1578268938
H    2.1928660625  -0.4461150076   2.7752083953
H    2.8896654960   1.0419587786   3.3963075759
H    1.4163620361   1.0953609573   2.4439531323
H    5.3894507128   1.1702199706  -1.9020624026
H    5.8962836381   2.4896280861   0.1364254034
*