! 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  -0.5462997063  -0.6576579684   2.5352198381
Cl   2.2170355636  -4.0073038157  -0.5480382929
O   -1.7673214902   1.3131961042   0.7317262268
O   -0.7575051518   1.9095350800  -1.1620612934
N    1.7565519932   2.2078380558   0.4070756523
N    2.6580209533   1.4015277994   0.9755345098
N    3.4839195286   2.2970761262  -0.9088555451
C   -0.5237570361   1.3438515373   0.0951975179
C   -2.8000247618   1.3112946375  -0.2559534233
C   -2.0256995832   1.4231687048  -1.5710731007
C   -3.6711561343   0.0759482727  -0.1540873381
C    0.4005809198   2.2769044168   0.8864669836
C    0.0983932799  -0.0449478082  -0.0504996206
C   -4.8290378053   0.1210783100  -1.1453864960
C    0.1496032117  -0.9761384067   0.9832322318
C    0.7410101258  -0.3799413205  -1.2391864018
C   -5.7392861829  -1.0914715397  -1.0327620517
C    0.7902092885  -2.1977298817   0.8377191442
C    1.3947012500  -1.5874085616  -1.4112984148
C    2.2582387665   2.7192995232  -0.7191061428
C    1.4088956763  -2.4906603587  -0.3641664510
C    3.6706262209   1.4927681552   0.1553335518
H   -3.4122482038   2.2046364797  -0.0941263307
H   -1.9329961480   0.4511533834  -2.0710664810
H   -2.4597374729   2.1321109473  -2.2733431950
H   -4.0687482940   0.0000967100   0.8616288901
H   -3.0629545821  -0.8185127784  -0.3252642445
H    0.4034185476   2.0068760690   1.9397167979
H    0.0366596789   3.3009445310   0.8023719960
H   -4.4460041734   0.1891236266  -2.1682273634
H   -5.4111847781   1.0320922886  -0.9782992552
H    0.7410806641   0.3206208577  -2.0623501523
H   -5.2005067078  -2.0149950648  -1.2513465005
H   -6.1554505966  -1.1824467819  -0.0278426842
H   -6.5751436931  -1.0253341823  -1.7300302739
H    0.8116317353  -2.9033933064   1.6564552961
H    1.8843067024  -1.8115910422  -2.3483666088
H    1.7129012809   3.4020126923  -1.3508346111
H    4.5910929385   0.9607172151   0.3370122225
*
