! 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 "WATER"
end
*xyz 0 1
Cl   0.5502093877   0.9619350936  -2.3537980186
Cl   3.3138419760   4.2617477019   0.7840502948
O   -1.2812978361  -0.4308867729  -0.5265359869
O   -0.6002090905  -1.0699369622   1.5112040630
N   -0.1148888687  -3.0075187040  -0.4875695426
N   -0.1849969689  -3.9446507054   0.4619410352
N   -1.6139330114  -4.4073215416  -1.2058119948
C   -0.1432893442  -0.6700950646   0.2546689241
C   -2.4507832337  -0.4796919692   0.2902033505
C   -1.8710768721  -0.4726402781   1.6964993686
C    0.6804945541  -1.8194770320  -0.3375903083
C    0.7162968019   0.5882273229   0.3521144969
C   -3.3727239434   0.6812412702  -0.0160048598
C   -4.6517093695   0.6077146312   0.8063000647
C    1.0664418709   1.3652264152  -0.7511789180
C    1.2159719401   0.9802948359   1.5902499585
C    1.8636953383   2.4931715373  -0.6281431382
C    2.0096300346   2.1044377196   1.7434483606
C   -0.9790717435  -3.2905600929  -1.4634800380
C    2.3247543635   2.8548329474   0.6253190513
C   -1.0868711106  -4.7594486128  -0.0173952394
H   -2.9734873396  -1.4257365546   0.0984888083
H   -1.7772440448   0.5477367046   2.0890547899
H   -2.4357901934  -1.0704912007   2.4089388018
H    1.5283552596  -2.0450364206   0.3061188306
H    1.0766659554  -1.5412581908  -1.3121287464
H   -2.8499909333   1.6212155151   0.1815454313
H   -3.6219113828   0.6717267918  -1.0793079630
H   -5.3221328067   1.4286247703   0.5538695940
H   -5.1898390903  -0.3240333762   0.6226422865
H   -4.4548008182   0.6696446458   1.8782341815
H    0.9808280939   0.3956743638   2.4681930517
H    2.1189868862   3.0779024092  -1.5008889071
H    2.3738979700   2.3830130913   2.7221665561
H   -1.0959951475  -2.6773560047  -2.3424168063
H   -1.3759605233  -5.6535972566   0.5121956937
*