! 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  -0.0962214931  -1.2195245205   2.7918769409
Cl  -4.4316836913  -1.4866778685  -0.3424580617
O    3.5508095150  -1.0876147671  -0.1152526382
N    2.2320160957  -1.4190093173  -0.1960805963
N   -0.3254789944   3.4953326608  -0.7506848207
C    1.8241579859   0.8267169707   0.8046238647
C    1.4491002082  -0.5239965805   0.2574819043
C    0.0013543902  -0.8129103342   0.1213550158
C    1.3567831393   1.8923175855  -0.1486557026
C   -0.8044882644  -1.0947461477   1.2188896750
C   -0.6036831086  -0.7522868656  -1.1297055288
C    2.0678797531   2.1976359218  -1.3024665142
C    0.1648546915   2.5720617015   0.0669447296
C   -2.1676967220  -1.3051919638   1.0932009478
C   -1.9628742643  -0.9614492044  -1.2890853490
C   -2.7319064108  -1.2312428010  -0.1695591232
C    1.5704467452   3.1613933905  -2.1635522557
C    0.3719781328   3.7792897960  -1.8445786119
C    4.3498342464  -2.1377086176  -0.6303421017
H    1.3428544896   0.9688926696   1.7742514283
H    2.8968276572   0.9055674335   0.9688296577
H    0.0002231138  -0.5285673856  -1.9985485032
H    2.9995789458   1.6910721510  -1.5231140301
H   -0.4219939742   2.3583209780   0.9543437244
H   -2.7727986162  -1.5273646079   1.9603937543
H   -2.4105404389  -0.9076740940  -2.2710257490
H    2.0985977715   3.4314916048  -3.0669410150
H   -0.0401060914   4.5379042440  -2.4990616059
H    4.1281354123  -2.3388632527  -1.6802021156
H    4.2310250661  -3.0583955507  -0.0551797435
H    5.3810152554  -1.8007855368  -0.5463836065
*
