%maxcore 4000
%pal nprocs 16 end
! wB97X-D4 DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           4.55282770207894      3.26594616788646    -13.42351057868143
  S           5.55351096063758      3.98845014817948    -15.77438161015941
  O           4.31195950910752      1.89229124534457    -13.04171543862633
  N           4.16718989605642      3.73246303403638    -14.85393613377075
  C           6.65670387956367      3.96317247835962    -14.40455001437748
  C           3.67346382654211      4.27303825524606    -12.28683417974452
  N           6.11410506554237      3.65746703498620    -13.24805040143177
  C           3.02867041148185      3.70144762753429    -11.20250283086138
  H           3.04815471825472      2.62818801929120    -11.06225754478170
  N           7.94205267341257      4.22511016803170    -14.59262127375604
  H           8.21899026226805      4.48668407336187    -15.52659776333425
  C           2.35882028343729      4.52538854553434    -10.30520558765535
  H           1.84930980795565      4.08439291692826     -9.45485784406439
  C           2.33356222434107      5.90595034104579    -10.48141379475285
  C           2.99618374254892      6.45661554436715    -11.58453767522010
  H           2.98374211077049      7.53160745762598    -11.73359656449036
  C           3.66305079941388      5.65043588133929    -12.48762152351278
  H           4.17120872497880      6.08008399688870    -13.34358137017207
  C           1.60635009032513      6.80034925368157     -9.51381675032377
  H           1.19367903027032      6.22921629121786     -8.68101711570119
  H           2.28011995518748      7.56277978157089     -9.11427934754405
  H           0.78628175765976      7.32039634633590    -10.01666835202141
  C           9.01923716824505      4.16740721433068    -13.57409746576366
  C           9.12408336480415      2.75414408179940    -12.99753483126417
  H           9.30235178276237      2.03022977418015    -13.79666555995960
  H           9.96333289330930      2.71359843898426    -12.29910904197738
  H           8.21602854700315      2.47459916662635    -12.46350533402498
  C           8.75751285136834      5.19740016848936    -12.47316849652011
  H           7.84026133685743      4.97155548782278    -11.92924853066192
  H           9.59114099974270      5.18794763769383    -11.76683087566408
  H           8.67719815864666      6.19946955449008    -12.90198047954282
  C          10.30698205052468      4.51989615209578    -14.31744136819746
  H          10.24216200977808      5.52151333163150    -14.75176286232611
  H          11.14664160145046      4.49943602213209    -13.62090021089348
  H          10.50235580367225      3.79998236092957    -15.11709524821920
*
