! 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    1.0352398639   2.6794751177  -0.0888457748
N   -0.9783239783   1.6665922285  -0.0607484273
N   -1.2923996160  -0.5461995838   0.5748683872
N   -3.0879222366   0.7436611873  -0.0681554833
C    2.4121229608   0.3152959875   0.7750414772
C    3.2051327753   0.2230580136  -0.5359481033
C    0.9256780211   0.3989199156   0.5778921904
C    3.0199479414  -1.0827313753  -1.3027676260
C    0.0420853364  -0.6309291022   0.7941588857
C    0.3964853253   1.6536317823   0.1270567259
C   -1.7753152282   0.5918704243   0.1521354842
C    3.7280927032  -2.2712642975  -0.6663936063
C    0.4960381671  -1.9650421483   1.3057824668
C   -4.0427233857  -0.3418486010   0.0123933431
C   -4.1585764732  -1.1411703314  -1.2748565544
H    2.7488660633   1.2049135009   1.3142864149
H    2.6640867566  -0.5287904117   1.4196851259
H    2.9261242375   1.0650479380  -1.1734822645
H    4.2684716004   0.3576127113  -0.3115744646
H    1.9523629102  -1.2963514763  -1.4157063824
H    3.4019274676  -0.9539869174  -2.3191818767
H   -1.3797384597   2.5425688870  -0.3728075481
H    3.4334021805  -2.4266712588   0.3730283843
H    4.8111417378  -2.1317337313  -0.6751843246
H    3.5136425456  -3.1968793463  -1.2032801645
H    1.1444173879  -2.4704319615   0.5888032247
H   -0.3610899406  -2.6084863825   1.4921224176
H    1.0590349160  -1.8716822644   2.2354780681
H   -3.4083823297   1.6073679384  -0.4751633345
H   -3.7623642717  -0.9923359163   0.8389654435
H   -5.0061664926   0.0989410705   0.2673392734
H   -3.2160711106  -1.6280329837  -1.5268975683
H   -4.9180083188  -1.9171294144  -1.1692137063
H   -4.4490086024  -0.5041104371  -2.1116863209
*