! 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   -3.4307083969  -1.6043953072  -0.1159254820
O    0.5054767879   2.6748852781  -0.2348689684
O   -1.9145393785   0.7817215656  -1.5473409736
O   -2.6312039745  -0.0630173397   1.2856536580
N   -0.2597953277  -0.1182527661  -0.3244697026
C   -1.1053604120  -1.2952095544  -0.1307007257
C    1.1329325754  -0.1686153780  -0.0086061918
C    1.5945651170   0.2944812541   1.2241159196
C    2.0050667978  -0.7198266557  -0.9574425294
C   -0.5018624884  -2.3028413716   0.8394511639
C   -0.7789511146   0.8622718511  -1.1035587084
C   -2.4626350794  -0.8766865834   0.4142002828
C    2.9623820866   0.2207071927   1.4824453525
C    3.3623394166  -0.7720052127  -0.6638666948
C    0.6914559733   0.8639636375   2.2746548299
C    1.4971600683  -1.2720208751  -2.2569829334
C    3.8398564614  -0.3017264078   0.5500805875
C    0.1061976061   2.0537598399  -1.4225025250
C   -4.7540059918  -1.3920180689   0.3748784017
C    1.6987336739   3.4054281416  -0.3656882755
H   -1.2631243391  -1.7936990483  -1.0919364505
H   -0.3231169489  -1.8716067730   1.8238208415
H   -1.1883172273  -3.1414018145   0.9582978950
H    0.4361088147  -2.7081151430   0.4631513319
H    3.3391059972   0.5790158412   2.4335144794
H    4.0491358286  -1.1916081592  -1.3888183858
H   -0.3594547895   0.8101573354   2.0078080937
H    0.8255940041   0.3338958221   3.2192863873
H    0.9323143434   1.9108857431   2.4648749372
H    0.9156647663  -2.1846913341  -2.1064260477
H    0.8580841028  -0.5743361026  -2.8006143455
H    2.3251359869  -1.5285660793  -2.9165804470
H    4.8990006760  -0.3488938222   0.7696521147
H    0.9678817868   1.7095023977  -2.0123619050
H   -0.4661596261   2.7337335360  -2.0640996996
H   -5.0872845635  -0.3704364007   0.1916301526
H   -4.8272086803  -1.6106574052   1.4403910360
H   -5.3906525231  -2.0792095488  -0.1755479015
H    1.6050719069   4.2276816522  -1.0850842725
H    2.5346776766   2.7699039038  -0.6802624537
H    1.9382442596   3.8314495797   0.6081193422
*