! 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   0.7895612455  -0.7496439299  -2.1705501355
Cl   5.6667774042  -0.7266868508  -0.0319342787
O   -1.0393232381  -0.4624002188   0.1077124793
O   -0.4995042382   0.8671195605   1.8371804924
N   -1.9503931561   2.0714867405  -0.3862530191
N   -2.5669388281   2.7832286130   0.5627063743
N   -4.0694291950   1.8363868615  -0.8114788876
C   -0.2119318111   0.5839576580   0.4930691959
C   -1.5449263504  -1.1190868792   1.2629473055
C   -1.5090293173  -0.0121037697   2.3046611202
C   -2.9304348051  -1.6555181320   0.9820444406
C   -0.5355314656   1.8173276168  -0.3662872850
C    1.2641508718   0.2275076093   0.3454525400
C   -2.9906722047  -2.6450115365  -0.1734839703
C    1.7856115294  -0.3603259924  -0.8070844600
C    2.1584443565   0.5182148669   1.3710397390
C   -4.4009032039  -3.1643398677  -0.4063136157
C    3.1340707117  -0.6598317156  -0.9299690510
C    3.5101283791   0.2332705293   1.2740745865
C   -2.8579038762   1.5014730590  -1.1804665005
C    3.9854632325  -0.3589750336   0.1182585030
C   -3.8277187941   2.6148443714   0.2612306172
H   -0.8716711239  -1.9388127983   1.5456189885
H   -2.4670669200   0.5146289347   2.3704098493
H   -1.2440925710  -0.3772220965   3.2969530456
H   -3.6047768397  -0.8152999522   0.7853805550
H   -3.2905813192  -2.1338997960   1.8981309420
H   -0.2011960512   1.6779140711  -1.3927207538
H   -0.0196295460   2.6908941876   0.0277982169
H   -2.3169047331  -3.4835947173   0.0253434307
H   -2.6252542035  -2.1628534965  -1.0834294190
H    1.7981114439   0.9808304969   2.2780594179
H   -4.4326713971  -3.8732686379  -1.2343265072
H   -4.7905661264  -3.6731749821   0.4774563731
H   -5.0878046610  -2.3501302396  -0.6457184276
H    3.5099096091  -1.1210798552  -1.8324683525
H    4.1750899319   0.4721660654   2.0919629923
H   -2.5950256370   0.8741737191  -2.0168753459
H   -4.6112922126   3.0836346933   0.8354903862
*
