! 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   -1.1555588731  -0.9287521024  -0.5367808906
O    1.8941446416  -0.9229532852  -0.4263527817
O   -3.1170689541   0.0853036741  -0.1760786048
O   -0.7959824743   1.8640927921  -1.3766251551
N    0.1397778853   1.2040351242   0.5707490609
N    1.4274647689   2.2420623188  -1.1012586037
N    3.0814843247   2.5799201878  -2.5111040457
C   -1.1702034207   0.7871345160   1.0660764758
C   -1.9838761718   1.9575563477   1.6073037817
C    1.3193588891   0.6984034333   1.2695987509
C   -1.9377106104  -0.0333145933   0.0324324269
C    0.1712963122   1.7592656138  -0.6531226024
C   -1.2661588428   2.6945486346   2.7267068523
C    1.6481688715  -0.6950608477   0.8798466165
C   -1.6935171108  -1.7793616001  -1.5564606090
C   -2.6006788772  -2.8795781347  -1.0447533211
C    1.7614108673  -1.8476381765   1.5811260040
C   -1.9949774787  -3.7974777120   0.0212782535
C    2.2783814178   3.1370007439  -0.4923177052
C    1.9587951830   1.9550631403  -2.3214657033
C    2.0931400213  -2.8611845560   0.6297470950
C    2.1505114796  -2.2391927666  -0.5694021264
C    3.2868083121   3.3290596195  -1.3825185396
C   -1.7234186596  -3.1153998345   1.3314361717
C   -2.6259903928  -2.9441737642   2.2903655082
H   -0.9763241053   0.0986197290   1.8965238540
H   -2.2344890342   2.6492858655   0.8008064174
H   -2.9298812908   1.5660889780   1.9844623239
H    1.1281177726   0.7328536286   2.3411483289
H    2.1702830329   1.3562342940   1.1023287233
H   -1.0372110127   2.0325753250   3.5646378202
H   -0.3318565916   3.1476159063   2.3917014420
H   -1.8908070587   3.5006734435   3.1120501201
H   -0.8123836794  -2.2076926371  -2.0346968973
H   -2.2138381550  -1.1749745264  -2.3033337301
H   -2.8540936850  -3.4836981539  -1.9208651370
H   -3.5403277389  -2.4652108466  -0.6767306581
H    1.6199252048  -1.9643032828   2.6440884543
H   -1.0727949980  -4.2428541280  -0.3620276461
H   -2.6948675564  -4.6215441758   0.1802795264
H    2.0780388160   3.5755261411   0.4707871679
H    1.4839947042   1.2703872320  -3.0068741237
H    2.2582082681  -3.9095683268   0.8183335326
H    2.3614942777  -2.5860443450  -1.5684346352
H    4.1458295728   3.9723125506  -1.2738605613
H   -0.7215239662  -2.7269906805   1.4793477154
H   -2.3827999813  -2.4265205454   3.2102671229
H   -3.6428936840  -3.3112391064   2.1981811017
*