! 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   0.6997708459  -1.3353816880   2.5374995363
Cl   4.1536070348  -1.5435565308  -1.5125337933
O   -2.1173552430   0.4314814991  -0.5052971365
O   -1.9471923408  -0.8570774593   1.3087753748
N   -0.2837906630   2.3560179564   0.7876059894
N    1.0222182086   2.4449899971   1.0557982047
N    0.4862848717   3.7626301377  -0.6794859156
C   -1.2769593510   0.1206124028   0.5624511514
C   -2.7863910022  -0.7731123413  -0.8701569466
C   -2.9100918361  -1.4890724069   0.4751396997
C   -1.1191341681   1.3742015373   1.4315218303
C    0.0798453318  -0.3692968182   0.0562336407
C   -4.1005489174  -0.4511091538  -1.5460727103
C   -4.8608345294  -1.7140090855  -1.9240391180
C    1.0170714518  -1.0027365645   0.8682988549
C    0.4573060114  -0.0990825119  -1.2558290133
C    2.2668399796  -1.3726040653   0.3953298373
C    1.6979601570  -0.4538749896  -1.7561946705
C   -0.5825871728   3.1364271904  -0.2524589344
C    2.5944427379  -1.0926320432  -0.9192103486
C    1.4340290944   3.2983017315   0.1567624293
H   -2.1551665318  -1.3557832064  -1.5534967559
H   -3.9012770995  -1.3609436309   0.9200006994
H   -2.7009688838  -2.5566946598   0.3947101616
H   -0.6651976154   1.1256281270   2.3872425655
H   -2.1016933995   1.8039746528   1.6262450604
H   -3.9054120171   0.1400054062  -2.4437143874
H   -4.7079034305   0.1657849414  -0.8780265264
H   -5.1261800023  -2.3087187372  -1.0482780822
H   -5.7888785076  -1.4643392176  -2.4370353182
H   -4.2769772467  -2.3491086320  -2.5920712471
H   -0.2313969710   0.4085429798  -1.9162027981
H    2.9734139811  -1.8657275441   1.0480144008
H    1.9546949003  -0.2280734872  -2.7813693412
H   -1.5798535822   3.2316736079  -0.6500579996
H    2.4660925647   3.6069631536   0.1048842170
*