! 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   0.6535544059   2.1498735224   1.1884607088
Cl   4.9769089276   0.1027796448  -1.1200637118
O   -1.1980999765  -1.8658079141   0.3075887533
O   -1.3499317561   0.0836820231   1.3791382989
N   -1.4156127037   1.4014611810  -1.3224172880
N   -2.0712007938   2.4174789288  -0.7558834207
N   -0.4745590272   3.1833121663  -2.1357974831
C   -0.8963187718  -0.4984077264   0.2034969622
C   -1.4295945237  -2.1941883162   1.6820377852
C   -1.1132668659  -0.8794879017   2.3915660970
C   -2.8595019292  -2.6626962587   1.8778893583
C   -1.6926487242   0.0284919225  -0.9972186165
C    0.6070988357  -0.3151203922  -0.0254327233
C   -3.2317106502  -3.8797941970   1.0414918243
C    1.3423435638   0.8135899992   0.3341706827
C    1.2797183368  -1.3070754046  -0.7379590732
C   -4.6701378110  -4.3173859623   1.2720996288
C    2.6867261976   0.9419758502   0.0084825328
C    2.6148769706  -1.2008607430  -1.0821320600
C   -0.4656448205   1.8742916169  -2.1319000689
C    3.3099000686  -0.0665655051  -0.7009215692
C   -1.4715976931   3.4566446076  -1.2729182860
H   -0.7306651604  -2.9819095717   1.9769750367
H   -1.7704773712  -0.6708568217   3.2345986918
H   -0.0756123777  -0.8429863982   2.7408269980
H   -3.5460767284  -1.8363006467   1.6632234456
H   -2.9837417398  -2.9009421390   2.9387844078
H   -2.7586589908  -0.0750824292  -0.7998576436
H   -1.4528662520  -0.5791230316  -1.8688341782
H   -2.5540360387  -4.7051078630   1.2797701314
H   -3.0882451082  -3.6589881177  -0.0185344860
H    0.7456258341  -2.1957144235  -1.0432039120
H   -5.3721338229  -3.5271175551   0.9995361970
H   -4.9193593532  -5.1965475507   0.6768642020
H   -4.8486905249  -4.5678663268   2.3194079335
H    3.2326153284   1.8270430639   0.3037530311
H    3.0980556785  -1.9910145138  -1.6389815069
H    0.1828547340   1.2349565164  -2.7105403488
H   -1.7733231101   4.4620475987  -1.0253181097
*