! 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   -0.5827514658  -2.6249797976   0.7632640931
O    2.5197523000   2.6911922017   0.2264439114
O    0.4952205407   3.4584727177  -0.3342598294
N   -0.8204323487  -0.4007846512   0.3693004260
N    1.2285323370  -1.2850335581   1.0407939827
N   -1.4554183293   1.6096790610  -0.2303338280
N    0.8579033108   1.2573061561   0.2881642101
C    3.3116607827  -2.3292256140   0.2483990795
C    2.2093886530  -2.3190764843   1.3000558232
C   -2.2021559124  -0.4601682825   0.1234167077
C    2.8208936123  -2.6367111113  -1.1597714825
C   -2.5864965605   0.8249893647  -0.2545872165
C   -0.3854330847   0.8919723069   0.1424229473
C   -0.0405754434  -1.5372269902   0.7388862819
C   -3.1459175645  -1.4741545455   0.1971130279
C   -3.8898395459   1.1537856351  -0.5727308916
C    3.9478592703  -2.6445691830  -2.1814949538
C   -4.4597551710  -1.1494384855  -0.1210710748
C   -4.8306727740   0.1374368067  -0.5006670332
C    1.2139671458   2.5412019321   0.0276741267
C    3.0670280411   3.9839140998  -0.0034392390
H    4.0535459363  -3.0734107265   0.5528065080
H    3.8294291822  -1.3639482957   0.2579017347
H    2.6442071580  -2.1473594126   2.2871422721
H    1.7078611995  -3.2848201696   1.3376168911
H    2.3129991937  -3.6059543599  -1.1642451776
H    2.0730339421  -1.8975879637  -1.4604010314
H    1.5542432547  -0.3259309884   0.9262402473
H   -2.8932306724  -2.4798007761   0.4867540617
H   -4.1585604049   2.1600955211  -0.8639711664
H    4.4468141442  -1.6745050576  -2.2287055195
H    4.7053494016  -3.3919553682  -1.9373826290
H    3.5757420458  -2.8695975318  -3.1820234271
H   -5.2113326846  -1.9257574031  -0.0708040174
H   -5.8634027448   0.3496514496  -0.7421903493
H    2.6289662041   4.7344223460   0.6556812156
H    4.1289007135   3.9003798148   0.2135031532
H    2.9411166696   4.2998048675  -1.0398294728
H   -1.3891604155   2.5923166242  -0.4575870974
*