! 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    0.1590040203  -1.8940068457   1.9875650489
O    4.1250837622   0.2132282807   0.4319103881
O    0.2127687602   0.4443438012   0.4453066766
O    1.8167580903   1.4280904761   1.6722615482
O   -4.0960845493  -3.2853973922   2.4411728663
O    1.4618388827   1.0421710257  -3.1692421570
O   -1.4510526046  -4.9500550601  -0.9977436372
O    4.2798165260   4.3116233072  -1.4437494534
N   -0.2611873820   1.7240832096   0.2231867798
N   -1.9398524451  -2.5742692078   2.2137997554
N    2.8108972594   0.5752364000  -1.3903457541
N   -0.6072242396  -3.4021373775   0.4515065739
N    4.2379373926   2.2315641282  -0.5038941050
C    2.0618294021  -0.8541578021   1.0996810235
C   -1.5063252822   1.7705180563  -0.0416719138
C   -2.4416353658   0.6271978261  -0.1312165163
C   -2.0342667004   3.1333779743  -0.2781038804
C    1.4361614090  -2.0205371055   1.5157269647
C    3.4149918089  -0.9139222168   0.7485343067
C    2.1219409018  -3.2246988720   1.5806322886
C    4.1027026035  -2.1092927056   0.7757508628
C    3.4507405474  -3.2584598342   1.2031252881
C    1.3702355928   0.4617168871   1.1235796175
C   -3.5749113951   0.6123364964   0.6784412532
C   -3.1906089708   3.3214531652  -1.0339204786
C   -2.2507888957  -0.3919707996  -1.0595590331
C   -1.3703523397   4.2511811139   0.2343417068
C   -4.5061327231  -0.4076770392   0.5575195589
C   -3.6721755546   4.6003588163  -1.2755218155
C   -3.1919456577  -1.4007755904  -1.1897713636
C   -1.8565038145   5.5244034317  -0.0050124409
C   -4.3210456356  -1.4102805257  -0.3831694852
C   -3.0090038839   5.7041168472  -0.7611861334
C   -0.8336291053  -2.6682134524   1.5126607341
C    3.6952618463   1.0376441646  -0.5410960767
C   -2.9395876416  -3.3413198448   1.8035534633
C    2.3693918380   1.4413808320  -2.2950777693
C   -1.6116535628  -4.1788490023   0.0663773213
C    3.7935225077   3.0836645900  -1.4190194250
C   -2.8291612223  -4.2137642508   0.7273481890
C    2.8258961228   2.7482398197  -2.3596421862
C   -4.2165573099  -2.4094059319   3.5568889404
C    1.1058708553  -0.3366631466  -3.1931987832
C   -0.1972372019  -4.9193415013  -1.6722551908
C    5.2515375726   4.6826002017  -0.4700192720
H    1.6323561204  -4.1197368821   1.9370979129
H    5.1448675606  -2.1365026650   0.4870114736
H    3.9934136399  -4.1928094515   1.2476769000
H   -3.7358216368   1.4025766997   1.4011720500
H   -3.7170131074   2.4727845384  -1.4503866212
H   -1.3876784254  -0.3806885597  -1.7104549860
H   -0.4770801331   4.1203402850   0.8302648146
H   -5.3835809366  -0.4116762458   1.1909919108
H   -4.5683785952   4.7305407003  -1.8677884812
H   -3.0441662600  -2.1800394243  -1.9261040802
H   -1.3374994867   6.3809057602   0.4050533170
H   -5.0552675718  -2.1981028609  -0.4882883148
H   -3.3885846261   6.7009514124  -0.9443717835
H   -3.6469791753  -4.8423649700   0.4059830886
H    2.4603340364   3.4554382400  -3.0899089250
H   -3.9779337622  -1.3786769361   3.2957892721
H   -3.5768022137  -2.7222360980   4.3831889241
H   -5.2563465396  -2.4702659806   3.8683933952
H    0.3028137796  -0.4224022633  -3.9206919224
H    0.7651100752  -0.6910986018  -2.2207549831
H    1.9441799573  -0.9572369798  -3.5129523161
H    0.6208854194  -5.2320815053  -1.0229651452
H    0.0261059813  -3.9279902469  -2.0678223212
H   -0.2891115717  -5.6215872980  -2.4968922054
H    4.8621676487   4.5916664375   0.5441220958
H    5.4853911461   5.7248281526  -0.6715372069
H    6.1610661300   4.0881887140  -0.5585272733
*