! 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
S    1.3895138042   0.0137295275   1.8176645202
S    3.6398665098  -1.6199350397  -1.3711956875
O    1.7974107315   1.3399086907   2.2324050665
O    1.4936594098  -1.0828589382   2.7534935892
O   -5.1927482131  -1.2402321423  -0.9367830133
O    2.8036498688   2.7305744048  -1.4347989562
O   -0.5258167079  -1.9715509071   0.7419504845
O   -2.3187943018   1.8226207325   0.8356139510
O    0.8923574034   2.2631905585  -0.3771281332
N   -0.2184032750   0.1880620263   1.3900562074
N   -2.2051597107  -0.4787864027   0.4281568944
N   -4.0236715764   0.5479299829  -0.0980949433
N   -3.0334108601  -1.4402978747  -0.1048898186
C    2.2246165525  -0.4041403157   0.3339223774
C    2.7808407627  -1.6376752366   0.1139714069
C    2.5130265914   0.5557889476  -0.6950507196
C    3.2848466843   0.0167707690  -1.6755063629
C   -0.9346208087  -0.8435549892   0.8521292318
C    2.7920278485  -2.8948721604   0.9137441162
C   -2.7929634043   0.7732267946   0.4405491457
C   -4.0960064546  -0.7822675367  -0.3997175159
C    1.9716946985   1.9282643779  -0.7978487208
C   -5.0517863499   1.5440031309  -0.3121208279
C   -5.2294475732  -2.6407737591  -1.2367812243
C    2.3621612923   4.0690125804  -1.6830887401
H   -0.5745721495   1.1428209835   1.3219360966
H    3.6324098428   0.4918355879  -2.5798540841
H    3.3833453117  -2.7762865455   1.8202005744
H    1.7871605776  -3.1951787486   1.1968647925
H    3.2328131235  -3.7076992807   0.3396150173
H   -4.6845484535   2.5004281698   0.0461200113
H   -5.9514110695   1.2872915198   0.2410854536
H   -5.2831142718   1.6329765899  -1.3703749038
H   -5.1157670560  -3.2350784729  -0.3311442371
H   -4.4524319800  -2.9051132304  -1.9528603531
H   -6.2054783468  -2.8241817610  -1.6735577091
H    3.1838683825   4.5617200837  -2.1921650569
H    2.1475976450   4.5936545987  -0.7536741467
H    1.4808237032   4.0819123514  -2.3223340391
*