! 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    1.9947324148   1.5832196134  -0.0634088735
O   -0.5442655848   2.9533721783  -0.1090150090
N    1.7799343273  -0.6900947087   0.0145225479
N   -0.0782401546   0.6428816117  -0.0289553595
N   -2.1280710861   1.2637284597  -0.0453086658
N   -0.8417241715  -0.4952599697   0.0120861260
N   -3.2834224657   2.0046834106  -0.0689984024
C    3.1907903574  -1.0962539912   0.0310015868
C   -3.2496822596  -1.0059894550   0.0357400954
C   -2.0643757012  -0.1001945792   0.0025524923
C    3.8994972128  -0.5539055605   1.2712628403
C    3.1774118331  -2.6218591459   0.0836229610
C    3.9040641629  -0.6410725063  -1.2412224501
C    1.3324627206   0.5665112611  -0.0282663829
C   -0.8469024233   1.7825996498  -0.0677159362
C   -3.2600943646  -1.9101928805  -1.1953140623
C   -3.2587178220  -1.8224969432   1.3267105452
H   -4.1392994781  -0.3740344634   0.0144890785
H    1.0841278207  -1.4211094749   0.0444292941
H    4.9218979697  -0.9330479233   1.3126489333
H    3.9526821952   0.5339487811   1.2711792324
H    3.3901462286  -0.8702521249   2.1831414025
H    2.6756477478  -3.0481771389  -0.7878502386
H    2.6710002903  -2.9873752614   0.9796584369
H    4.1958865092  -3.0095333333   0.0998850481
H    3.9559219542   0.4440596181  -1.3173747775
H    4.9270301639  -1.0205542557  -1.2517155707
H    3.3988020868  -1.0212445023  -2.1306975722
H   -2.3863870875  -2.5628180489  -1.2149412016
H   -3.2710944566  -1.3344342191  -2.1214261873
H   -4.1495858442  -2.5409022950  -1.1882611305
H   -3.2746646057  -1.1836827683   2.2104506352
H   -2.3823341713  -2.4684197177   1.3933567559
H   -4.1456969547  -2.4559069823   1.3615272924
H   -3.2963768756   2.6366797597   0.7209005871
H   -3.3177970429   2.5512700070  -0.9194793382
*