! 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   3.7681110481   2.0843251605   0.0054023778
Cl   3.3673288941   0.4495573053   2.3408280558
Cl   5.4196149370  -0.2083802294   0.4399193940
Cl  -5.4213802412  -0.2189441099  -0.4039305274
Cl  -3.7363500300   2.0911372374  -0.3982472804
Cl  -3.3575624995   0.0437924821  -2.3862854250
O    3.7800815662  -2.6049150166  -1.8433425159
O   -3.8340228564  -2.1783215763   2.2794236735
N    1.4253869776  -0.3903605014   0.2042889309
N   -1.4296609344  -0.4026332014  -0.1197811003
N    3.1161513265  -0.4439667260  -1.5510468145
N   -3.1285615184  -0.1184442250   1.6049760048
C   -0.7048231634   0.8161683353   0.2064967942
C    0.7133930976   0.7619323062  -0.3278448687
C   -0.7150079573  -1.5530398003   0.4186256097
C    0.6959049746  -1.6090734534  -0.1232581252
C    2.8099091800  -0.5225721274  -0.1431069031
C   -2.8167197624  -0.4559520939   0.2370252814
C    3.7691815264   0.4206593040   0.6306765908
C   -3.7615945182   0.3402183341  -0.7023119483
C    3.5520664170  -1.4895227690  -2.2762437105
C   -3.5874399246  -1.0069696456   2.5043451802
H   -0.6692371240   1.0005188667   1.2895760069
H   -1.1788531743   1.6783584835  -0.2561419968
H   -0.6797183167  -1.5392537312   1.5175256883
H   -1.2282627593  -2.4683750987   0.1197734185
H    1.1968736995   1.6853028214  -0.0185706708
H    0.6780758083   0.7578568436  -1.4265525593
H    0.6589926168  -1.7884794458  -1.2073382201
H    1.1999262440  -2.4635978335   0.3312259432
H    3.1093561328  -1.5194080273   0.1850589965
H   -3.1257676660  -1.4927532900   0.0941497812
H    2.9406710193   0.4160990180  -2.0491728494
H   -2.9389416054   0.8143641811   1.9403994128
H    3.6868738417  -1.2251784795  -3.3328007201
H   -3.7220713681  -0.5525272745   3.4942198828
*
