! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.7809658278  -0.5524855104   1.5541575843
S   -1.8831374992  -1.3649440130  -0.3829847181
O   -1.5747342525  -1.4106267464  -1.7967434215
O   -2.7049388995  -2.3917860185   0.2113744526
O   -1.1939960044  -1.0928609514   2.4637548589
O    3.3992411495  -1.4561391580  -1.7886544069
O    5.5976441335  -1.3706632852   2.2993499785
N   -2.0691564931   1.3554403690  -0.3718432262
N   -0.9665050721   1.5201023829  -1.0905665533
N   -3.8784854473   1.8169456604   0.8348922797
N   -0.3981183860  -1.3163504603   0.3491239467
N    1.0441292812  -1.1500285918   2.1602860776
N    2.2074151446  -1.2960140414   0.1547415591
N    3.3150985277  -1.2540222560   2.2375414233
C   -2.5999987164   0.1539460165   0.0223858053
C   -0.6343003756   2.7557536141  -1.3410256656
C    0.5842415595   2.9831814865  -2.1735813439
C   -2.8727950714   2.3340563790   0.1379999489
C    0.2304377669   3.4638222122  -3.5827590863
C   -1.3966636670   3.8650422138  -0.8773089625
C   -2.5167991473   3.6634635242  -0.1361771655
C   -3.7075653074   0.5000624730   0.7730098117
C    1.4720864911   3.7336095490  -4.4159968714
C   -0.2515303407  -1.1832685807   1.7054786455
C    2.2378528450  -1.2391940930   1.4751723562
C    3.3778612776  -1.3923187437  -0.4677595646
C    4.4748512614  -1.3481288547   1.6017214825
C    4.5787581964  -1.4279763465   0.2176864397
C    2.1659083339  -1.4084460467  -2.5018637687
C    5.5341655156  -1.2780698415   3.7212054626
H    1.2146890553   3.7288046411  -1.6822001176
H    1.1615063945   2.0587582744  -2.2298340804
H   -0.3727796123   4.3734777210  -3.5216680448
H   -0.3924605582   2.7117563272  -4.0726907021
H   -1.0660318840   4.8663902301  -1.1147531251
H   -3.1210483232   4.4737897192   0.2446189048
H    1.2062949872   4.0717836953  -5.4176504422
H    2.0938571927   4.5057873427  -3.9602251195
H    2.0831759710   2.8358731218  -4.5217337267
H    1.1286990024  -1.0781722251   3.1657121751
H    5.5301699541  -1.5093904156  -0.2866813080
H    1.5164222530  -2.2455158637  -2.2448589996
H    2.4299992973  -1.4803024735  -3.5529026138
H    1.6400540367  -0.4672565526  -2.3356478569
H    4.9793980063  -2.1087855726   4.1554983887
H    5.0882292615  -0.3377195372   4.0430032757
H    6.5645871968  -1.3194722001   4.0626597512
H    0.4542117694  -1.3072026855  -0.2301109402
*