! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
O   -2.6252870195  -1.0234518226   0.0017434747
N    0.2293470405   1.1894070911  -0.0007606267
N    0.1896988408  -1.0352459916  -0.0020467762
C    1.5151056740   0.7161813956  -0.0004549954
C    1.5132494142  -0.6899904555  -0.0012996127
C   -0.5248870133   0.1219693455  -0.0013855139
C   -1.9639548726   0.1537587788  -0.0005760325
C    2.7256084533   1.4090439719   0.0011936349
C    2.6831217366  -1.4396061197  -0.0009496493
C    3.8945214915   0.6703721460   0.0018374291
C   -2.8463495262   1.1868883291  -0.0012582629
C    3.8733327855  -0.7327006924   0.0006602582
C   -4.1400533739   0.5960064961   0.0008467322
C   -3.9429332238  -0.7440627154   0.0025940257
H    2.7438372680   2.4915730276   0.0022900197
H    2.6698737718  -2.5217309487  -0.0017247720
H   -2.5984133220   2.2361491459  -0.0035084674
H    4.8482833817   1.1821172100   0.0037588437
H    4.8100148251  -1.2749585390   0.0016089762
H   -5.0912237376   1.1031739290   0.0006954017
H   -4.6166220165  -1.5860112270   0.0043507828
H   -0.1850642589  -1.9718171387  -0.0012039717
*