! 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   0.9052410387  -1.9036214387  -1.6100079360
S   -2.5440238891   1.2828217331   0.9235389026
O    1.7722578871   0.4212322229   0.6759931581
O   -0.9066753907   3.0670554634  -0.1013776835
O    3.0720672666   0.8445483407  -1.1020072331
N   -0.4945270303   0.8534678993  -0.5815340646
C   -0.9700888757  -0.4135543950  -0.2583150043
C    0.7236808200   1.1564154116  -1.2989544496
C   -2.1071059401  -0.3605286581   0.5557650197
C   -1.1762659173   1.8926529431  -0.0011514910
C   -0.4941689570  -1.6723645241  -0.6182528602
C   -2.7660861729  -1.4894671437   1.0029539132
C    1.9920777813   0.7835800039  -0.5682728813
C   -1.1458536486  -2.8137659614  -0.1733942071
C   -2.2723459959  -2.7273470508   0.6290185508
C    2.8914264009   0.0132723745   1.4885793247
C    3.6258532141   1.1927359470   2.0785178200
H    0.7234483935   0.7018101847  -2.2863392565
H    0.7508011033   2.2327393870  -1.4706487687
H   -3.6411502646  -1.4073218813   1.6325914121
H   -0.7624622414  -3.7831554760  -0.4595964344
H   -2.7612468982  -3.6313058679   0.9629583388
H    2.4449058637  -0.5944723541   2.2725342372
H    3.5577931264  -0.6247021048   0.9072183776
H    4.3949140120   0.8211343207   2.7560231364
H    4.1183115145   1.7975163197   1.3184122656
H    2.9563169114   1.8306080693   2.6551690857
*