! 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   1.7321140186   2.3489500803   1.0184988681
Cl   5.6683598899  -0.8762674003  -0.5493442414
O   -0.9632871829  -1.0868605639  -0.1518742952
O   -0.6217941664   0.5534381431   1.3230646936
N   -2.1525984654   1.3113770598  -0.9951519894
N   -2.9491857149   0.6566521074  -1.8446621369
N   -4.1680936976   1.8754635426  -0.4086934853
C   -0.2712655709   0.1111595044   0.0480214775
C   -1.4295151374  -1.5898035581   1.1051188857
C   -0.8012088997  -0.6184431965   2.0996492499
C   -2.9457419489  -1.6013637150   1.1514592715
C   -0.7251753900   1.1304376978  -1.0001300231
C    1.2372234397  -0.1149623333  -0.0730987809
C   -3.6012498485  -2.4194400433   0.0479535894
C    2.1852698201   0.8255799593   0.3283245209
C    1.7139040431  -1.2956709326  -0.6343318249
C   -5.1189975820  -2.3673880566   0.1288700913
C    3.5464047978   0.6003322547   0.1868800965
C    3.0665432654  -1.5486694833  -0.7864846030
C   -2.8924246177   2.0217035842  -0.1422207918
C    3.9740508196  -0.5913650933  -0.3708299303
C   -4.1404443447   1.0257342516  -1.4538726800
H   -1.0407061942  -2.6029756013   1.2403952877
H   -1.4475333034  -0.3831426630   2.9441426794
H    0.1553065015  -0.9871310971   2.4851715404
H   -3.3207580665  -0.5725775868   1.1252362317
H   -3.2362545731  -2.0076706425   2.1255676674
H   -0.4323856765   0.7914292534  -1.9917863013
H   -0.2460216078   2.0925837191  -0.8297751639
H   -3.2633212906  -3.4582512539   0.1121073567
H   -3.2806533062  -2.0454221978  -0.9257893520
H    1.0126926529  -2.0477575294  -0.9651386785
H   -5.5825729127  -2.9519189054  -0.6666420475
H   -5.4833729835  -2.7593151396   1.0803994375
H   -5.4817304174  -1.3413337204   0.0365632372
H    4.2587700357   1.3467502638   0.5090986234
H    3.3988547429  -2.4796727752  -1.2231498025
H   -2.4698401266   2.6419728287   0.6313783253
H   -5.0301376892   0.6797446408  -1.9558900578
*