! 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    0.1004223973  -1.0933337951   0.4335046167
O   -1.4527166915  -0.1125882258  -1.9482011934
O   -1.2989932813  -1.1585380507   2.1778986595
O    2.0934393415   2.0940562845   0.8412580113
N   -0.0437770045   1.5696924261   0.2758609554
N    1.4640686121   2.4654190714  -1.2976658947
N    2.4301395600   3.6778270965  -2.8616715153
C   -0.2829621322   0.9359887128   1.5666762348
C   -1.3104288585   1.6632267837   2.4301286403
C   -1.2251051982   1.8626119330  -0.5361258735
C   -0.5865549958  -0.5498632875   1.4209070256
C    1.1998165150   2.0293415247   0.0245092452
C   -0.9471953029   3.1214246754   2.6604238756
C   -1.9704121307   0.6512199960  -0.9609545613
C    0.0145261543  -2.5116011795   0.2319087468
C    0.9603105415  -3.2694503103   1.1434060716
C   -3.1300337155   0.1039640480  -0.5219779065
C    0.9125638280  -4.7684345643   0.8433413126
C    1.1973836481   1.8392589319  -2.4972229859
C    2.2283768407   3.5580838462  -1.5856597633
C   -3.3323038767  -1.0826990207  -1.2885915742
C   -2.2797754340  -1.1603741059  -2.1337838218
C    1.8015958037   2.6056293156  -3.4405994645
C    1.8774119389  -5.5364004670   1.6883877046
C    1.5419034559  -6.4693077437   2.5711240784
H    0.6645977521   0.9636738268   2.1119502845
H   -2.3153438539   1.5815657999   2.0096150638
H   -1.3489410679   1.1490497244   3.3905692968
H   -0.9457492697   2.4737372254  -1.3917229413
H   -1.9086632433   2.4808550601   0.0485968621
H   -1.6711588600   3.5903186215   3.3270212168
H    0.0367908466   3.2181450538   3.1220860053
H   -0.9361825070   3.7052767299   1.7383179216
H    0.2910946412  -2.6597890794  -0.8118989216
H   -1.0155495611  -2.8503889433   0.3572856737
H    0.6969438557  -3.1018351013   2.1901591693
H    1.9781144062  -2.8955241812   1.0017500908
H   -3.7666207813   0.4953502894   0.2556385211
H    1.1541295273  -4.9283513485  -0.2132068123
H   -0.1013516449  -5.1479228363   0.9963314287
H    0.6521941744   0.9150659634  -2.5703613113
H    2.5802410310   4.2289266836  -0.8177456455
H   -4.1512537120  -1.7796494759  -1.2167786978
H   -2.0009521254  -1.8676751996  -2.8985092874
H    1.8243528550   2.4378548059  -4.5059241868
H    2.9276287702  -5.2863006741   1.5594883160
H    2.2890468212  -6.9864741242   3.1600069641
H    0.5090165625  -6.7535703291   2.7394614677
*