! 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   -2.4483179534   0.3724367891   0.9487907821
O   -0.4334723333   0.5009369317  -2.2321827803
N   -1.7055437152  -0.2123118505  -0.4591091827
C    1.5826282643  -1.9800592597  -0.4819934134
C    0.6037479816  -1.7495249638   0.6627165335
C    2.9513272556  -1.3283139585  -0.2916961672
C   -0.7806829300  -2.3419974910   0.4269192022
C    2.9258112121   0.2062014596  -0.2696027813
C   -1.5886052119  -1.6472614614  -0.6644808030
C    2.8923754229   0.8317419355   1.1218421140
C    2.7293830595   2.3428245581   1.0731561151
C   -1.0480995094   0.7416941453  -1.1950561361
C   -1.2185778800   2.0323945458  -0.5488370493
C   -1.9347758114   1.9642664374   0.5843236464
H    1.1565039753  -1.6109439308  -1.4193651026
H    1.7159525422  -3.0588227746  -0.6138334809
H    0.5019615652  -0.6796622558   0.8669278662
H    1.0176386086  -2.1839913350   1.5773466956
H    3.5947225972  -1.6648360594  -1.1083031086
H    3.4172195369  -1.7049203568   0.6257093370
H   -1.3478201600  -2.3252095799   1.3619321700
H   -0.7004525277  -3.3958992574   0.1466732316
H    2.0666884727   0.5613385565  -0.8500310703
H    3.8075804449   0.5937883268  -0.7882846027
H   -2.5874315261  -2.0819684759  -0.7263177756
H   -1.1306269199  -1.7792271291  -1.6426322005
H    2.0821146203   0.4012848402   1.7151183713
H    3.8164266799   0.5767398596   1.6494405557
H    2.7417244899   2.7829643789   2.0711065893
H    3.5295898358   2.8117096982   0.4968670767
H    1.7822385902   2.6193126699   0.6041864298
H   -0.8019273176   2.9403161550  -0.9569622466
H   -2.2077094994   2.7738702900   1.2448700172
*