! 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
Cl   0.6181382821  -0.1800235452   2.9823583735
Cl   4.0199248042   2.5964214668  -0.0292401630
O   -1.9927758415  -0.0955223218  -0.6895165842
O   -1.9755865472  -0.0495645074   1.5616806143
N   -0.1542792536  -2.3469187990  -0.6199322600
N   -0.7049488781  -2.6047752506  -1.8074308340
N    1.5195150968  -2.8418974838  -1.9089625292
C   -1.2184899271  -0.3870770784   0.4334071373
C   -3.3018349430   0.2836639181  -0.2745942864
C   -3.0395250561   0.7817817008   1.1325271498
C   -0.9406996438  -1.9010500013   0.4993157716
C    0.0845505204   0.4031950370   0.3579025520
C   -3.8825629546   1.3065199208  -1.2243579796
C   -4.0910842283   0.7732349682  -2.6335255971
C    0.9615560319   0.5222763606   1.4355005227
C    0.4740376858   0.9859633349  -0.8446930683
C    2.1681892112   1.1975262220   1.3271035722
C    1.6740343529   1.6626734862  -0.9818401342
C    1.1730975242  -2.4871743870  -0.6968787426
C    2.5138725236   1.7623412495   0.1125721179
C    0.3324688551  -2.8997626982  -2.5462311405
H   -3.9504537691  -0.6028281608  -0.2459833986
H   -2.7475989427   1.8393790741   1.1395506210
H   -3.8848676734   0.6475062082   1.8064797894
H   -1.8850560360  -2.4449621628   0.5025698181
H   -0.4096992949  -2.1581483913   1.4143425753
H   -4.8415165304   1.6299418980  -0.8096047365
H   -3.2373211317   2.1892931510  -1.2441156432
H   -4.5533351848   1.5294570110  -3.2686821428
H   -3.1489970996   0.4839892259  -3.1000333811
H   -4.7454631778  -0.1005910397  -2.6368554933
H   -0.1748505705   0.9092985140  -1.7050064213
H    2.8269843856   1.2763337097   2.1807646505
H    1.9450783537   2.1012121084  -1.9321152642
H    1.8324190355  -2.3313774011   0.1432318180
H    0.2314598928  -3.1728557455  -3.5853033135
*