! 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   -0.5257066096  -1.4151805999  -0.5198269453
O   -0.9826900596   0.1963922629   0.9947442710
O    5.3981392518   2.1166627054  -0.3933082999
O    5.8843778014  -0.0025523781   0.1729404731
N   -2.5739343604  -0.6261431381  -0.4323700374
N    3.7397475167   0.6841609911  -0.2572756014
C   -3.7086174846   0.1226063580  -0.0984252756
C   -6.1244633281   0.2946581173  -0.2891117273
C   -4.9381175241  -0.3851730075  -0.5240043548
C    2.9870457596  -0.4709903046  -0.0536684916
C    0.8037460874  -1.4697042546  -0.1614400649
C   -3.6671099468   1.3359134898   0.5818027567
C   -6.0731287678   1.5077314286   0.3969853550
C    1.6279518296  -0.3782992766  -0.3576124956
C   -4.8565629655   2.0113797820   0.8225297173
C   -7.4349764514  -0.2573287353  -0.7650902272
C    3.4982545400  -1.6752480693   0.4324247407
C    1.2910454677  -2.6693625870   0.3257208555
C    2.6447741757  -2.7536657181   0.6090270862
C   -1.3393944250  -0.5327432528   0.1049103908
C    5.0815783443   0.8500924284  -0.1297087538
C    6.7764635326   2.4661372305  -0.3057814057
H   -4.9653029004  -1.3326684982  -1.0517363142
H   -2.7364924106   1.7659354961   0.9158171512
H   -6.9856979824   2.0570326843   0.5945784065
H    1.2261061512   0.5446411053  -0.7579050614
H   -4.8213794395   2.9558632026   1.3503089248
H   -2.7111979311  -1.3512275601  -1.1216135794
H    4.5423458398  -1.7843675621   0.6736221179
H    0.6329611175  -3.5158569668   0.4696268723
H   -8.1501336791  -0.3424737808   0.0544960111
H   -7.8870756496   0.3941651816  -1.5152727848
H   -7.3216696266  -1.2447556000  -1.2111032202
H    3.0504035994  -3.6830610142   0.9859543032
H    3.2186876909   1.5005512055  -0.5425237706
H    6.8269461174   3.5281186596  -0.5308550240
H    7.3782194663   1.9198153813  -1.0324066526
H    7.1735551001   2.2956775108   0.6949516880
*