! 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   -3.7487892628  -0.3862691111   0.0786326608
O    2.7383191478  -2.7212195941  -0.0636644930
N    0.7078791775  -1.8237812736  -0.3762552960
C   -4.8283987938   0.5507077729   0.0095135718
C   -2.5207439856  -0.0534176101  -0.3592250164
C   -0.2316390456  -0.7989680581  -0.5839826723
C    2.5455239873  -0.4090339513   0.3937048166
C   -1.5296902048  -1.0119235390  -0.1444736280
C    3.6793900180   0.1433920293  -0.2126149377
C   -6.1020025566  -0.2633018949   0.1019237728
C   -4.7238778788   1.5755868396   1.1244996890
C    2.0209557712  -1.7340886648  -0.0491715953
C   -2.1906026065   1.1423100379  -0.9941081249
C    0.0950182937   0.3792368371  -1.2523982871
C    1.9420725930   0.2201768826   1.4783747085
C   -0.8864302846   1.3361853004  -1.4316902008
C    4.1690511988   1.3435581623   0.2963892345
C    4.3552127497  -0.5006394917  -1.3880651388
C    2.4591005095   1.4018301002   1.9833285024
C    3.5751427683   1.9663553287   1.3843902500
H   -4.8130995468   1.0539485612  -0.9630362294
H   -1.7856797356  -1.9294603240   0.3737742660
H    0.3682019526  -2.7695537849  -0.4951655804
H   -6.9672650833   0.3953823173   0.0242169049
H   -6.1680477801  -0.9925691527  -0.7064116297
H   -6.1703955670  -0.7945903516   1.0530933089
H   -5.5394385641   2.2952395529   1.0459310264
H   -3.7905435266   2.1386072127   1.0909319952
H   -4.7930898908   1.0949625921   2.1021330476
H   -2.9202026211   1.9200023869  -1.1698187572
H    1.0908284213   0.5477692619  -1.6363484270
H    1.0673000707  -0.2195593498   1.9416014509
H   -0.6382902781   2.2578817055  -1.9418289035
H    5.0347277478   1.7988886416  -0.1696699801
H    5.0310818865   0.2024141942  -1.8734712346
H    4.9448241794  -1.3671648516  -1.0872228593
H    3.6440642700  -0.8425060464  -2.1414415372
H    1.9903903084   1.8794551114   2.8335267025
H    3.9844766628   2.8950222531   1.7609074408
*