! 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    0.3057070194  -0.6842075577   0.8141299754
O   -3.4277325458   0.1007451439   0.1558972024
O   -1.2841147417  -0.4906284625   2.3724793817
O    0.4828577394   1.0284927444  -2.1179922965
N   -0.4924568989   1.7346351608  -0.1829922030
N    1.8385304063   1.7602432838  -0.4595228801
N    4.0083446486   1.5579357694  -0.1535168314
C   -0.4301157496   1.4951218838   1.2621008217
C   -1.4276535218   2.3264982847   2.0561867174
C   -1.8130978774   1.6391421710  -0.8076594513
C   -0.5516581634  -0.0025903350   1.5523816005
C    0.5630505788   1.4591021780  -0.9909517232
C   -1.2432408565   3.8213697926   1.8518441445
C   -2.4294906064   0.2842307679  -0.7412195066
C    0.3000634630  -2.1154316056   0.8982523365
C    1.2124640818  -2.6419287249  -0.1866130375
C   -2.1829794812  -0.8821009448  -1.3888487407
C    1.2374574122  -4.1705336078  -0.1877906606
C    2.2347125330   2.8678403163   0.2589250111
C    2.9569339963   1.0162791438  -0.6877048867
C   -3.0832672369  -1.8446388536  -0.8439047913
C   -3.8093946409  -1.1879992312   0.0906614135
C    3.5733399154   2.7203515963   0.4304179348
C    2.1646506895  -4.7090497954  -1.2294859133
C    1.8004326230  -5.4715448522  -2.2531254574
H    0.5648662858   1.7722194302   1.6179880200
H   -2.4554840588   2.0337574594   1.8369460204
H   -1.2717233413   2.0898813365   3.1096207710
H   -1.7183527266   1.9576387793  -1.8432132353
H   -2.4700562197   2.3652475893  -0.3295443573
H   -1.9553590391   4.3749510747   2.4638139994
H   -0.2437543981   4.1450412193   2.1479492776
H   -1.3993314143   4.1299353655   0.8169900372
H   -0.7191133366  -2.4854988006   0.7651026919
H    0.6468921344  -2.4234569551   1.8881226815
H    2.2257057763  -2.2591303536  -0.0343386417
H    0.8731087413  -2.2795487931  -1.1608455910
H   -1.4433773595  -1.0380402088  -2.1570787947
H    0.2291058297  -4.5619904160  -0.3476769882
H    1.5605230469  -4.5227530750   0.7978268438
H    1.5580652628   3.6584413009   0.5354656087
H    2.9254639015   0.0860754749  -1.2328167755
H   -3.1753990369  -2.8841051480  -1.1146814302
H   -4.6043632378  -1.4926582019   0.7524769368
H    4.2493322007   3.3919295090   0.9360072590
H    3.2107555134  -4.4317984592  -1.1250248662
H    2.5217290592  -5.8280641704  -2.9777021629
H    0.7710642622  -5.7788063692  -2.4015568976
*