! 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  -0.1602765194  -1.9392155214   1.5717236081
Cl  -5.3088566179  -0.9501694728   0.4525800157
O    0.6590044448  -1.4056235878  -1.6262430129
N    1.2727338157  -0.3408535966  -1.0362459481
N    4.1916581545   2.9498608149  -0.9959565470
C    1.0086082845   1.5433413894   0.4204844989
C    0.4858377017   0.3394055138  -0.3064576931
C   -0.9462105290   0.0118799460  -0.1171612719
C    2.4702341175   1.7909317314   0.2112110635
C   -1.3501347530  -1.0206127928   0.7214845153
C   -1.9263883198   0.7494250465  -0.7699030587
C    3.4359214592   1.0911575728   0.9234469175
C    2.9121895549   2.7090213445  -0.7313435180
C   -2.6875040705  -1.3258184045   0.9099339820
C   -3.2720673513   0.4637453303  -0.6059307405
C   -3.6361559820  -0.5756005022   0.2337031851
C    4.7737514626   1.3325506687   0.6623370265
C    5.0997123124   2.2653626443  -0.3098042243
C    1.6105148833  -2.1881492148  -2.3223772056
H    0.4233674671   2.4145972157   0.1103021458
H    0.7916152936   1.4127022716   1.4853739023
H   -1.6354757080   1.5589479878  -1.4265945687
H    3.1445499370   0.3651382908   1.6729395945
H    2.1884595235   3.2790242784  -1.3050230752
H   -2.9815457193  -2.1311839522   1.5681362558
H   -4.0195194490   1.0440734766  -1.1278254843
H    5.5530900737   0.8078549691   1.1972475389
H    6.1383133729   2.4723517443  -0.5389045472
H    2.1102846987  -1.6185005586  -3.1090360441
H    1.0554690771  -3.0055239716  -2.7787962914
H    2.3631331603  -2.6062980841  -1.6504892305
*
