! 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  -4.8819053795  -0.2384199066  -1.7786954354
S   -2.0846916786  -1.6175485634  -0.0204793397
O   -2.8724003669  -2.4384304275  -0.9063944423
O   -2.0275958571  -1.9219964131   1.3942519757
O   -0.8582587644  -0.9519515987  -2.6296507828
O    2.7160677374  -1.7166182967   2.4563138161
O    5.6236867164  -0.1166180273  -0.7900717056
N   -1.9436708244   1.0905907008   0.2936024790
N   -0.8123227294   1.0372335316   0.9810666912
N   -3.7131542210   1.9041759975  -0.7781430674
N   -0.4941941332  -1.6100419419  -0.4843100347
N    1.2607912574  -0.9351180426  -1.8453064649
N    1.9797646326  -1.3687703447   0.3213458032
N    3.4437620328  -0.5409955052  -1.3326069564
C   -2.6031523018   0.0192121834  -0.2506660513
C   -0.3286238521   2.1840780853   1.3737426047
C    0.9916344530   2.1474071155   2.0751414911
C   -2.6451455644   2.2112817518  -0.0506756481
C    2.1692395104   2.3074940672   1.1056527973
C   -0.9867043999   3.4184558030   1.1130221199
C   -2.1434358292   3.4413793876   0.3990020993
C   -3.6830556672   0.5809774530  -0.9049569422
C    2.2421865168   3.6593299060   0.4144393767
C   -0.0896836127  -1.1544993143  -1.7138602909
C    2.2670824595  -0.9544708393  -0.9005839383
C    2.9647559172  -1.3397803282   1.2138103417
C    4.4196942327  -0.5289765033  -0.4340853745
C    4.2432391303  -0.9249903946   0.8870518261
C    1.3904380032  -2.1129442739   2.8045879597
C    5.8361876810   0.3384872214  -2.1248374076
H    1.0258843366   2.9391497950   2.8261028442
H    1.0882487040   1.1977182111   2.6030291480
H    2.1192269026   1.5177747485   0.3529571849
H    3.0878856237   2.1369087710   1.6701064834
H   -0.5545973672   4.3342022064   1.4901905698
H   -2.6718429926   4.3555805464   0.1713169500
H    2.2760023620   4.4763636879   1.1372464782
H    3.1409036642   3.7260970295  -0.1991772392
H    1.3915071787   3.8333452852  -0.2461211864
H    1.5402464957  -0.6107966264  -2.7618441413
H    5.0453626675  -0.8997127747   1.6096643847
H    0.6759807115  -1.3005773270   2.6648008510
H    1.4278697546  -2.3682206325   3.8595846248
H    1.0697042576  -2.9885892608   2.2403741932
H    5.2161278928   1.2034378152  -2.3583764874
H    5.6488058186  -0.4482643242  -2.8544051077
H    6.8823443113   0.6270498926  -2.1713302289
H    0.2244210494  -1.6361023196   0.2565563221
*