! 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   0.1630268368   0.6650224724  -2.2243554129
Cl  -1.7832000571   5.0487468686   0.0633258941
O   -0.2294319291  -1.0941914234   2.0242528446
N   -0.7339182169  -3.0426867974  -0.0020858175
N   -0.0519681900  -3.6403806989  -0.9828188533
N   -0.4146204431  -5.0709455927   0.7003883645
C   -0.0699469975  -0.7480170288   0.6668331470
C    1.3844901302  -1.0214386468   0.2424797218
C   -1.0772062570  -1.6437208988  -0.0746016438
C    2.3859472469   0.0237759663   0.7259103656
C   -0.4947428881   0.7127720573   0.4495628953
C    3.8358107799  -0.3952115164   0.4996210100
C   -0.4262595874   1.4009008437  -0.7645582082
C   -1.0018779855   1.4321377460   1.5309296648
C    4.1932282185  -0.6088625856  -0.9643908943
C   -0.8189412455   2.7256931061  -0.8922212502
C   -1.4001804526   2.7546080172   1.4360490375
C   -0.9406786088  -3.9059252180   0.9955885071
C   -1.3016172988   3.3962778455   0.2161470710
C    0.1172150198  -4.8518424912  -0.5181856242
H    1.4517831091  -1.1275357593  -0.8380496140
H    1.6606290405  -1.9975793547   0.6538430773
H   -1.1437375095  -1.3856325402  -1.1277913161
H   -2.0673575082  -1.5048318590   0.3616861638
H    2.2076365875   0.9771828571   0.2199342489
H    2.2500064572   0.2244893774   1.7950010842
H    4.0439636021  -1.3089367345   1.0647888215
H    4.4879639100   0.3753681113   0.9189041112
H    0.5589012161  -0.8442296530   2.5191176148
H   -1.0926367570   0.9460705300   2.4909099465
H    3.9457978294   0.2686678960  -1.5660050266
H    5.2613916924  -0.7967077149  -1.0828404943
H    3.6691357717  -1.4619851449  -1.3977199259
H   -0.7446051866   3.2238159001  -1.8489627329
H   -1.7803203256   3.2684148239   2.3079899265
H   -1.4773008480  -3.6513817074   1.8950252698
H    0.6377918230  -5.6096955465  -1.0829170073
*