! 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    3.0931428343   2.4313137382   0.4104886128
O    1.0868506559   0.7590020864   0.8509410044
N    2.1568150413  -1.1042301044  -0.0227865296
N    2.0400700252  -1.8308340037  -1.1378896592
N    2.3121431336  -3.1612582715   0.6401840559
C    4.6131835691   0.8292105659  -0.4893375337
C    3.3663966606   1.0530742699   0.3975243556
C    2.0745881985   0.3399871852  -0.0520654355
C    5.1278524292  -0.6101198939  -0.3914464020
C    4.3369342410   1.1699238620  -1.9546140451
C    5.7252355159   1.7435359500   0.0402623615
C   -0.2320833700   0.5804504164   0.5695114333
C    2.3167426475  -1.9112016876   1.0321127116
C   -0.7255291786  -0.0195897263  -0.5819705458
C   -1.1179543384   1.0467997514   1.5367629051
C    2.1457963212  -3.0565847553  -0.6942436674
C   -3.0019786589   0.3047951167   0.2076631250
C   -2.0977756826  -0.1492053920  -0.7481092712
C   -2.4803645123   0.9100635821   1.3537586817
C   -4.4571263801   0.1415948667   0.0213959826
C   -5.0372192961   0.2688698980  -1.2424860571
C   -5.2883722201  -0.1529326088   1.1040261007
C   -6.4026974776   0.1032472148  -1.4186498711
C   -6.6544600429  -0.3150604362   0.9285965138
C   -7.2180511569  -0.1893375592  -0.3338242594
H    3.6113124059   0.6937458419   1.4096959683
H    1.8274198012   0.6181239507  -1.0806185412
H    6.1183395606  -0.6721145396  -0.8466907011
H    5.2329920405  -0.9388220678   0.6447143531
H    4.5050313051  -1.3294018014  -0.9201050534
H    5.2629079204   1.1128553075  -2.5309518894
H    3.9412083562   2.1789909822  -2.0784720758
H    3.6354276898   0.4729348957  -2.4184143930
H    5.4918845469   2.8009751760  -0.0702573659
H    6.6501060906   1.5547851137  -0.5081825316
H    5.9315016660   1.5539999003   1.0967058309
H    2.4373981453   2.6167436808   1.0892127730
H    2.4230701510  -1.5569734883   2.0450785274
H   -0.0790823618  -0.4121333326  -1.3542434268
H   -0.7341056325   1.5245454117   2.4293356478
H    2.0908054004  -3.9077801933  -1.3546571174
H   -2.4577922257  -0.6444913657  -1.6410071437
H   -3.1462671860   1.3006385286   2.1129311527
H   -4.4203875616   0.5185364837  -2.0971164825
H   -4.8642019727  -0.2798999398   2.0925342353
H   -6.8311683482   0.2111281358  -2.4068527497
H   -7.2789611322  -0.5496584603   1.7810818507
H   -8.2838773520  -0.3179641721  -0.4711293177
*