! 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   2.0695848983   0.4623863643   2.4837291349
Cl  -6.9624618774  -2.2866545840  -2.1454325007
O    3.8120950364  -0.5319931457   0.4026463934
O    3.1811500499  -0.7652672318  -1.7136724687
O   -2.5554038825   0.3233205481   0.6957483022
N    3.2634921076   2.4149113311   0.0729541626
N    4.1591401495   2.6501952050   1.0355952687
N    2.3166828202   3.8932203721   1.3543080999
C    2.9907954223   0.0268587396  -0.5727714281
C    3.9035676885  -1.9384808661   0.1644164475
C    3.4791474384   1.4299182585  -0.9529214372
C    3.3125965126  -2.0966568037  -1.2442637778
C    1.5135998242   0.0459429270  -0.1746415622
C    3.1860159264  -2.7582184280   1.2132487792
C    1.0301193412   0.2470025447   1.1176986147
C    0.5608504093  -0.0545327875  -1.1876095207
C   -0.3285153922   0.3018972839   1.3881141593
C   -0.8001549342   0.0168100816  -0.9499797295
C   -1.2421261907   0.1894625572   0.3537236449
C    2.1722872046   3.1528764963   0.2837945917
C    3.5458795756   3.5375916852   1.7725620467
C   -3.5372355997  -0.3106889921  -0.0217254794
C   -4.6938200879   0.4088438324  -0.2791186951
C   -3.4278442464  -1.6381269702  -0.4137818051
C   -5.7551229510  -0.2010295273  -0.9290233611
C   -4.4835275605  -2.2442846527  -1.0760014010
C   -5.6399596472  -1.5226174674  -1.3281613616
H    4.9661045841  -2.1926132018   0.1711608653
H    2.9501127404   1.7533144364  -1.8486826800
H    4.5431136517   1.3986766488  -1.1827679807
H    3.9673576441  -2.6418278677  -1.9223496428
H    2.3403546545  -2.6013437524  -1.2195644591
H    3.3221929562  -3.8187265015   0.9956208173
H    2.1142156836  -2.5570132996   1.2289602086
H    3.5884838548  -2.5721533197   2.2083006277
H    0.8877649842  -0.1860009455  -2.2098639213
H   -0.6783902474   0.4469268506   2.4014392226
H   -1.4902862898  -0.0527981182  -1.7797233556
H    1.3178091710   3.1374128190  -0.3749928756
H    4.0112244907   3.9572114526   2.6506548508
H   -4.7736240892   1.4413925383   0.0341890185
H   -2.5354173969  -2.2134035289  -0.2041629148
H   -6.6584452993   0.3601062870  -1.1237356964
H   -4.3996905731  -3.2781568531  -1.3808426141
*