! 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    1.5569844232   1.4010561499  -1.6226540520
O    1.9010343185  -0.0346576946  -2.2598350605
O    0.8132182482  -1.9637354449  -0.8105926508
O    2.7611554070   1.9944115401  -1.1077453519
O    0.7758543905   2.0390908622  -2.6477500293
O   -4.3976062655   0.3651155216   3.4895104551
O   -3.7960363467   1.5595363593  -0.9540662018
O    1.9930408576   0.4163557348   1.1973242991
N    0.5055467597   1.0978792639  -0.3985599403
N   -0.1983899215   0.4756834745   1.7179210586
N   -2.2900677745   0.4115527622   2.6054379645
N   -1.9919231368   1.0334690710   0.3486994892
C    2.7457188375  -0.9172136300  -1.5840211128
C    2.1526572251  -1.9492212087  -0.8516969227
C    4.1126771795  -0.7932717610  -1.7038463302
C    2.9886812011  -2.8678805364  -0.2258346904
C    4.9368136023  -1.7154394224  -1.0718178873
C    4.3682503937  -2.7429582915  -0.3375311121
C    0.1614984307  -2.9963836200  -0.0742801574
C    0.8558635475   0.6432354692   0.8533104284
C   -1.5547294722   0.6517539912   1.5370220421
C   -1.3262101319  -2.8246299276  -0.2444360312
C   -3.5980795265   0.5776514924   2.4597193936
C   -3.3070231929   1.1868242778   0.2149413279
C   -4.1844380566   0.9705184584   1.2622533441
C   -3.8340774054  -0.0385425024   4.7364528658
C   -2.9002177185   1.7707703815  -2.0438237110
H    4.5334929615   0.0091362111  -2.2948602974
H    2.5796860890  -3.6837976137   0.3534825577
H    6.0105927594  -1.6277291816  -1.1585784624
H    4.9999186293  -3.4680858817   0.1576755436
H    0.4409751897  -2.9356546914   0.9819135467
H    0.4736767150  -3.9768665476  -0.4452051615
H   -0.5075560371   1.1924917614  -0.5887557546
H    0.0732528018   0.1636146855   2.6411800751
H   -1.6710460796  -1.8619547059   0.1327648032
H   -1.6231633518  -2.9112902633  -1.2895160160
H   -1.8420060069  -3.6028787209   0.3167312749
H   -5.2515460452   1.0980815642   1.1559237134
H   -3.1364115566   0.7033854001   5.1228470114
H   -4.6734799190  -0.1290358007   5.4199299784
H   -3.3315180710  -1.0018085778   4.6571842763
H   -2.1938426874   2.5742590460  -1.8348589324
H   -2.3642693442   0.8580531031  -2.3055899873
H   -3.5235446056   2.0627270619  -2.8839703728
*