! 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  -1.1665178422  -2.7069220378   0.2599921476
Cl   2.6557235919  -1.5728667333  -1.5636119312
S   -2.0075452568   2.8766943389   0.0802350163
O   -0.2459153072   0.8788887683   1.7550034089
N   -1.6681995195   0.4339381391  -0.9892767642
N   -2.3710658942  -0.4434079020  -1.7377348718
N   -3.6301459768   1.3098598863  -1.4466497955
C   -1.2033968544  -1.2517815244   1.2876863384
C   -1.5722841956  -1.4773715611   2.7114020154
C   -2.5509458333  -0.8340150243   1.7716693044
C   -0.1357323766  -0.2255859771   0.8977383272
C   -0.3002855422   0.1874675544  -0.5787720802
C    1.2654690856  -0.8292149724   1.1228657232
C    2.3903862007   0.0346524575   0.6256261434
C    3.0680909401  -0.2036449410  -0.5699682409
C    2.8026660221   1.1419056128   1.3695070020
C   -2.4551568922   1.5181469114  -0.8058125153
C   -3.5385551826   0.1172984785  -1.9867626635
C    4.0943107869   0.6161873902  -1.0177457641
C    3.8245379433   1.9726327733   0.9402432306
C    4.4702703359   1.7123838057  -0.2598971268
H   -1.0899048572  -0.8596884211   3.4576195186
H   -1.7627747215  -2.4944566697   3.0262922216
H   -3.4026830213  -1.4171892228   1.4478973941
H   -2.7500481660   0.2252237493   1.8787352023
H    0.0962602239  -0.5784019644  -1.2418361411
H    0.2654504074   1.0993150189  -0.7761450445
H    1.3194959778  -1.8197024648   0.6754066901
H    1.3748619727  -0.9735119929   2.2001539068
H   -0.7776636792   1.5872876506   1.3355012065
H   -2.0283938422  -1.3684694217  -1.9590483462
H    2.3143724066   1.3455970805   2.3123451455
H   -4.2965523848  -0.3807810767  -2.5691524951
H    4.5967176066   0.3976111665  -1.9500845794
H    4.1185107130   2.8205446997   1.5440301543
H    5.2699701803   2.3526022458  -0.6068976180
*