! 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   -3.7078201414  -0.3325593307   0.1937774132
O    2.7344132196  -2.7444313810   0.0397048064
N    0.7095086460  -1.8591853699  -0.3384592020
C   -4.7948563821   0.5908158720   0.0719670091
C   -2.4962016495  -0.0452571745  -0.3126825697
C   -0.2283709687  -0.8377699954  -0.5753953304
C    2.5351861175  -0.4105018909   0.3869944397
C   -1.5109625249  -1.0040582457  -0.0760264220
C    3.6747499950   0.1187788468  -0.2300572694
C   -6.0599396846  -0.2246323184   0.2390780213
C   -4.6821251668   1.6923670009   1.1104255231
C    2.0182234707  -1.7568875923   0.0014794465
C   -2.1750839527   1.1032961585  -1.0330380257
C    0.0891827933   0.2915291078  -1.3267756931
C    1.9108312762   0.2700408842   1.4277817170
C   -0.8858567320   1.2505582302  -1.5299171278
C    4.1439062937   1.3505080921   0.2190551859
C    4.3723673730  -0.5811251556  -1.3600399610
C    2.4067422429   1.4842759005   1.8733280961
C    3.5248898837   2.0278363727   1.2597409761
H   -4.7949930670   1.0246128442  -0.9335625996
H   -1.7565144274  -1.8836927492   0.5071513536
H    0.3662495137  -2.8076641375  -0.4179472439
H   -6.1030896942  -0.6993114598   1.2209567575
H   -6.9326575589   0.4210509402   0.1418690078
H   -6.1362477022  -1.0005646613  -0.5234293855
H   -4.7190626939   1.2803181849   2.1205236718
H   -5.5128960835   2.3907531676   1.0027224953
H   -3.7601530871   2.2672193965   1.0137265494
H   -2.9015351341   1.8795477628  -1.2278789403
H    1.0735175413   0.4191511223  -1.7543303159
H    1.0340350816  -0.1531848134   1.9023138096
H   -0.6461048146   2.1355695795  -2.1046799075
H    5.0129982315   1.7883027342  -0.2572398849
H    5.1212879212   0.0691852694  -1.8100585928
H    4.8799717431  -1.4848240674  -1.0234775433
H    3.6802447584  -0.8775087627  -2.1502889111
H    1.9194888637   2.0029784446   2.6882978483
H    3.9173273916   2.9815660119   1.5886171816
*