! 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   0.5130452918   0.6546694830   1.3280607337
Cl   4.3149622927   2.8898925265   0.7592148416
Cl  -3.6800168161   3.4978258545  -0.4338847326
S    1.3559770067  -3.2688834591  -0.3874789448
N   -2.1884484568  -2.1252524888   0.9253643021
N   -0.1287289721  -1.1860297628  -0.9556066156
N   -2.6930658452  -1.1322969533   1.6623506091
N   -4.2162997773  -1.8766437546   0.1920220734
C   -0.8170580244  -2.5432045496   1.0339757821
C    2.4163965725  -2.3313811151  -1.5280405777
C    0.0208420991  -2.1592747269  -0.1668266846
C    2.8970061397  -1.0311373372  -0.9571315674
C    2.5967985302   0.1693250411  -1.5895983187
C    3.6524525180  -1.0001293515   0.2105685178
C   -1.0032306457  -0.1259314030  -0.7724230315
C    3.0357721748   1.3793590398  -1.0747740698
C    4.0954468090   0.1995118064   0.7426581342
C   -3.1026310474  -2.5489096413   0.0491935347
C   -0.7886855914   0.8440898446   0.2106631137
C   -2.0569102841   0.0743894852  -1.6622418393
C    3.7775088163   1.3821302517   0.0933622634
C   -1.5985066132   1.9623674615   0.3155867630
C   -2.8904016965   1.1722625938  -1.5583764947
C   -2.6518371301   2.1115574547  -0.5683118168
C   -3.9031751323  -1.0183745405   1.1839813541
H   -0.7837346084  -3.6249945554   1.1745826479
H   -0.3899992215  -2.0968756539   1.9320584794
H    1.8866848766  -2.1854149971  -2.4676843292
H    3.2482108207  -3.0105366704  -1.7242965851
H    2.0054450840   0.1672145679  -2.4955738760
H    3.8971872335  -1.9224104772   0.7230316410
H    2.7873919343   2.3054598352  -1.5746055730
H    4.6808282747   0.2092223300   1.6518513394
H   -2.9172479767  -3.3434673629  -0.6568177005
H   -2.2292131665  -0.6546792101  -2.4426338352
H   -1.4115989459   2.6976531907   1.0857273022
H   -3.7117240240   1.2929907022  -2.2505848480
H   -4.5980722979  -0.2927816097   1.5756620718
*