! 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  -2.5989403217  -1.8992168932   0.0157589274
Cl  -4.0369459290   0.9064772444  -0.0087615440
O    2.3481712894  -1.5830767956   0.0185407507
N    4.0525495725  -0.0843794389  -0.0017096495
N    1.8709566426   0.6438380153  -0.0057401407
C    0.4829275986   0.6178019251  -0.0057792011
C    2.7412861211  -0.4225148992   0.0047195601
C   -0.2950427572  -0.5397716753   0.0039816131
C   -0.1675388162   1.8568935635  -0.0168770536
C    5.0662053775  -1.1167114178   0.0116700972
C    4.5187719860   1.2867763495  -0.0218294145
C   -1.6785272843  -0.4413583017   0.0029708719
C   -1.5439728847   1.9396444212  -0.0179476165
C   -2.3183766285   0.7890521580  -0.0078505535
H    2.2584471273   1.5739143086  -0.0126725340
H    0.1586267458  -1.5160402947   0.0125207490
H    0.4098016898   2.7733115349  -0.0253016268
H    4.6110668301  -2.1011490145   0.0247492984
H    5.7004208870  -1.0229810885   0.8952895722
H    5.7001616362  -1.0461704514  -0.8742546786
H    4.1986335598   1.8234791171  -0.9181638777
H    5.6056000281   1.2868296926  -0.0253750769
H    4.2047890690   1.8478678703   0.8615778758
H   -2.0198354880   2.9107168484  -0.0262612957
*