! 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    0.5810639801   2.1116003056   0.0936244519
N   -1.3383155713   0.9291847104   0.1873147848
N   -1.4156921382  -1.3628738220   0.5669310573
N   -3.3648963641  -0.1982282979   0.2785195534
C    2.2075949255  -0.2362749618   0.5439214815
C    2.8308611478  -0.3887873349  -0.8461515652
C    0.7080857199  -0.2267065298   0.5054192809
C    4.3526313268  -0.4950852374  -0.8362135130
C   -0.0658604652  -1.3542546593   0.6426355288
C    0.0486941201   1.0171217634   0.2536370402
C   -2.0241216233  -0.2255138980   0.3415757692
C    5.0611762248   0.7501993989  -0.3219908339
C    0.5589482493  -2.6933325175   0.8903055329
C   -4.1682996997   0.8916368450  -0.2385456970
C   -4.1428086386   1.0105651959  -1.7545635714
H    2.5589426150   0.6896958279   1.0038786050
H    2.5639500969  -1.0447078504   1.1873929422
H    2.4169161485  -1.2818594276  -1.3242318742
H    2.5274251374   0.4581370497  -1.4693994017
H    4.6519417132  -1.3606419660  -0.2363250444
H    4.6939409543  -0.7028729475  -1.8541710652
H   -1.8267936945   1.8012984468   0.0289343232
H    4.8492793784   0.9423838106   0.7307391129
H    4.7611425816   1.6370066393  -0.8844323543
H    6.1439418069   0.6535577681  -0.4176468809
H    1.0722158721  -2.7204785978   1.8535221771
H    1.2999972433  -2.9384572927   0.1281990013
H   -0.1988677604  -3.4734804077   0.8907958445
H   -3.7937934969  -1.1100204343   0.3071065194
H   -5.1869969880   0.7154312070   0.1028368991
H   -3.8645696562   1.8315842968   0.2275480066
H   -3.1421094802   1.2204648267  -2.1344350225
H   -4.4952225560   0.0913180081  -2.2234517809
H   -4.7947653238   1.8228459697  -2.0775696675
*