%maxcore 4000
%pal nprocs 16 end
! TPSSh D4 DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           4.53641274459227      3.29097073415599    -13.28548902870455
  S           5.62980067851686      3.84518924553164    -15.64816782764064
  O           4.29194373905948      1.92578451260209    -12.84958471777664
  N           4.20104264903369      3.73134696099051    -14.75419227436820
  C           6.68924066133417      3.88975859298125    -14.23971910065369
  C           3.61336027741237      4.34742032647401    -12.22899646937728
  N           6.11262276894607      3.68121446677601    -13.07774349564311
  C           3.00787103288259      3.82475378553000    -11.09113095432656
  H           3.08740813528189      2.76841135863864    -10.87143224098214
  N           8.00198312268138      4.10703246266712    -14.42294287873946
  H           8.28333316765873      4.31227403087730    -15.37302953068396
  C           2.30465083600430      4.67993625468583    -10.25163151317451
  H           1.83040700138417      4.28086215039352     -9.36194819515515
  C           2.19914884442150      6.04413621521665    -10.53497200532706
  C           2.82333067433265      6.54201144325617    -11.68639181826288
  H           2.75354420179743      7.59920702994207    -11.91752542520030
  C           3.52858199041796      5.70476560991797    -12.53557776781879
  H           4.00683222483566      6.09156484193091    -13.42661568445864
  C           1.41486957759450      6.95904485030653     -9.63737817097757
  H           1.26746231319712      6.51394904746135     -8.65254595814883
  H           1.91908569292029      7.92076827656171     -9.52176202040503
  H           0.42824534928308      7.15767481439421    -10.06853738855967
  C           9.06363634688522      4.05468670717910    -13.49868456719304
  C          10.34524898143597      4.27666221090745    -14.01672432661104
  C           8.89888896650544      3.80102654251218    -12.13458868368079
  C          11.45090184382978      4.24393039502923    -13.17982938402552
  H          10.46669873464177      4.47216570470151    -15.07693229409402
  C          10.01992338065366      3.76913549077934    -11.30970666267740
  H           7.91427095161174      3.63230421072078    -11.72733766512141
  C          11.29593527504123      3.98904922790567    -11.81833787066954
  H          12.43664008967575      4.41723265758557    -13.59569902663241
  H           9.88428096857382      3.57075337503783    -10.25260342098623
  H          12.15919688755704      3.96326176634951    -11.16416105192306
*
