%maxcore 4000
%pal nprocs 16 end
! TPSSh D4 DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           0.71234811152641      2.46116365634627     -4.02902148701037
  C           1.42646677047689      1.76065155635658     -1.89211265581352
  N          -0.50929499979370      2.00436910218571     -3.09261091480304
  O           0.09750326244797      1.77726195847539     -1.79849078277725
  C           0.69242358040921      1.43133690072769     -5.44736811421441
  N           1.95691223248382      2.02389971438342     -3.05836273860238
  O           0.82767886540164      3.83122896367932     -4.49473821962053
  C           0.47814419726714      0.06311693750960     -5.28061744713652
  H           0.31172601623529     -0.34611634460239     -4.29208531469667
  C           0.48056561965440     -0.75517055376456     -6.39781296846339
  H           0.31754905842030     -1.82037629578014     -6.27806656038697
  C           0.68751497362020     -0.22713205908021     -7.67932586383624
  C           0.90101549813840      1.14772578509827     -7.81407374818384
  H           1.06662211734185      1.56859417923568     -8.79935253441383
  C           0.90598062575985      1.98504659983184     -6.70637884699491
  H           1.07116395794012      3.04889412788016     -6.81074541371430
  C           0.65845358655933     -1.12322593802644     -8.88438798634134
  H           1.11189238729841     -0.63669844154669     -9.74867639251583
  H           1.18226957057722     -2.06090045004826     -8.68691409095017
  H          -0.37538865540597     -1.37553195577022     -9.14169095969689
  C           2.17537697394548      1.45665521276130     -0.68087202346617
  C           1.50985730640026      1.09263575977947      0.49627217017246
  H           0.42915820124249      1.03463680354517      0.51258737757511
  C           2.24388332110627      0.80308420013243      1.63781429918266
  H           1.73043940626853      0.52066280220536      2.54898620912071
  C           3.63581641781647      0.87280884501144      1.61183750083694
  H           4.20470764372876      0.64517532824709      2.50577493737198
  C           4.29821161413031      1.23425638349398      0.43972289916262
  H           5.38000255936323      1.28928029556078      0.42085870942008
  C           3.57331809332205      1.52754289601209     -0.70623451826543
  H           4.07636368631723      1.81389003015981     -1.62106152093829
*
