! 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   -1.1866832638   0.7951524060   0.8854678146
O   -3.3747400829  -0.2479644298  -1.9940301275
N   -1.9417267222  -0.2539616100  -0.2102608242
C    1.4241735137  -1.8320763927   0.4560363265
C    0.8428956493  -1.4387766371  -0.8980818917
C    2.8446476299  -1.3279082948   0.6933840709
C   -0.5205299971  -2.0566569727  -1.1914185360
C    2.9686098612   0.1890136283   0.7772717312
C   -1.6353449977  -1.6768487348  -0.2275150728
C    4.3771497041   0.6491746123   1.1322216579
C    4.5034435122   2.1627060470   1.2104730557
C   -2.7657718397   0.3600377709  -1.1142609523
C   -2.7845205060   1.7859924228  -0.8388830053
C   -1.9918004417   2.1333592962   0.1885904080
H    1.4156105516  -2.9238077882   0.5372298248
H    0.7864146405  -1.4691344514   1.2695711565
H    1.5339804548  -1.7616213825  -1.6826510752
H    0.7844013901  -0.3508446986  -0.9885859961
H    3.5009365971  -1.7041756099  -0.0988754404
H    3.2175697078  -1.7628764124   1.6260195543
H   -0.4396030035  -3.1472655039  -1.1645669558
H   -0.8295067210  -1.7978170051  -2.2068567097
H    2.2652555242   0.5683766452   1.5270668539
H    2.6728780667   0.6457585633  -0.1721610550
H   -1.4051268933  -1.9867501281   0.7921479647
H   -2.5530192782  -2.1974085850  -0.5004986502
H    4.6710058027   0.2079465097   2.0896115488
H    5.0831172069   0.2619710564   0.3910648736
H    3.8334551612   2.5779656132   1.9657477980
H    5.5181573907   2.4683713650   1.4688858069
H    4.2521155628   2.6309373908   0.2569987726
H   -3.3799414618   2.4783309997  -1.4137910846
H   -1.8258942544   3.1215086235   0.5912927944
*