! 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   1.0684729399  -1.4625604280   2.0780965680
Cl  -6.9497559579  -0.0754732458   1.0284120123
O    3.7878676105  -1.0799439626   1.0374584404
O    4.1772437107   0.2506056185  -0.6929616237
O   -1.9240894106  -0.6765520253  -1.9221183672
N    2.5027836251   2.3122641638   0.6714422167
N    1.2042667500   2.5129993717   0.9165551977
N    1.9071393808   3.8561031542  -0.7379965730
C    3.2568576313   0.0000844028   0.3321114070
C    4.4733818544  -1.9195373862   0.1071101744
C    3.2188028882   1.2136127052   1.2681426734
C    4.6234208871  -1.0227364514  -1.1330342565
C    1.8723989352  -0.2765539591  -0.2505639505
C    3.7234325486  -3.2048421673  -0.1637734696
C    0.8405827603  -0.8800431969   0.4627860251
C    1.5648809472   0.1925347880  -1.5249132563
C   -0.4306554253  -1.0327584923  -0.0664252755
C    0.2985133229   0.0801567193  -2.0685842322
C   -0.6987612205  -0.5362211824  -1.3326893341
C    2.8996735670   3.1078258482  -0.3240413625
C    0.8980093844   3.4439634077   0.0531617966
C   -3.0650742544  -0.5281368869  -1.1765306955
C   -4.1301744129  -1.3625288393  -1.4800168661
C   -3.1908922841   0.4507762759  -0.1992078867
C   -5.3325130926  -1.2192193283  -0.8061199914
C   -4.3891819482   0.5859901445   0.4834326238
C   -5.4517941891  -0.2492701212   0.1760739201
H    5.4479958107  -2.1488519366   0.5431960663
H    4.2360571179   1.5259916018   1.5039884408
H    2.7196306149   0.9575298688   2.1997209279
H    5.6545117407  -0.9310141219  -1.4708280395
H    4.0166539891  -1.3875436423  -1.9690865073
H    3.5800767452  -3.7796165044   0.7508194734
H    4.2970513804  -3.8230876213  -0.8558754594
H    2.7463258125  -3.0192327484  -0.6119086475
H    2.3296995674   0.6807356536  -2.1123443527
H   -1.1980654877  -1.5297352218   0.5119794360
H    0.0897083393   0.4670173649  -3.0569345500
H    3.9111841199   3.1251611152  -0.6969442520
H   -0.0978601591   3.8546563670  -0.0025503730
H   -4.0260581631  -2.1202368297  -2.2454158097
H   -2.3702592936   1.1154497776   0.0384563499
H   -6.1626203405  -1.8692393332  -1.0455926785
H   -4.4872013281   1.3473193770   1.2447408888
*
