! 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  -1.6456682098  -0.7333143053   3.2259455114
Cl   3.8976430564   2.0182363262  -3.6126774696
Cl  -3.7199655631   3.6383611725   0.8989878322
S    1.7310530117  -2.8529511268   0.8264359148
N   -1.9388162200  -2.0248514630  -0.3123675645
N    0.3368133990  -0.6405543845   0.9460514860
N   -1.6910007294  -1.5674080177  -1.5421743783
N   -3.7561892406  -0.9867128698  -0.8819294968
C   -0.9363750092  -2.7336828959   0.4288796272
C    3.0046636634  -1.5889849578   1.1111018163
C    0.2759192613  -1.8816630609   0.7432755397
C    3.2198675597  -0.6897389287  -0.0694206688
C    3.6616594998  -1.2066021282  -1.2839621103
C    2.9957116289   0.6785484138   0.0309805308
C   -0.6950424487   0.2814290928   0.9087473380
C    3.8726981956  -0.3825245712  -2.3774287639
C    3.2054703419   1.5200160767  -1.0518126207
C   -3.1658673513  -1.6634451143   0.0695834278
C   -1.6326065910   0.4166303249   1.9334630120
C   -0.7224470972   1.2239267211  -0.1202118771
C    3.6397332449   0.9786853331  -2.2500532759
C   -2.5632458913   1.4426527536   1.9426441155
C   -1.6520035364   2.2456181217  -0.1386236879
C   -2.5640212002   2.3515813593   0.8998070539
C   -2.8045939441  -0.9497044606  -1.8358243354
H   -0.6382500857  -3.6201768525  -0.1319528897
H   -1.3768145557  -3.0847024216   1.3631332584
H    3.9021714538  -2.1706446680   1.3286315365
H    2.7553406343  -1.0261180526   2.0090162060
H    3.8419497792  -2.2696647067  -1.3874083301
H    2.6490851265   1.1009494770   0.9645778424
H    4.2147424651  -0.7980998630  -3.3153743693
H    3.0243050561   2.5820545753  -0.9579973168
H   -3.5876016778  -1.9314239781   1.0256933821
H    0.0086189811   1.1470627258  -0.9135236173
H   -3.2772095065   1.5229655694   2.7504917118
H   -1.6544596150   2.9571776981  -0.9525737633
H   -2.9440004554  -0.4569031093  -2.7848393673
*