%maxcore 4000
%pal nprocs 16 end
! O3LYP DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           4.55908536384817      3.35005711838653    -13.42810285610483
  S           5.58895450879356      4.05791120717794    -15.76079821714063
  O           4.30977917723381      1.97380072950966    -13.06248823810155
  N           4.19606714941079      3.84589396853005    -14.85804333919782
  C           6.68246934870414      4.01513109253714    -14.38470851160494
  C           3.65489466910603      4.33811796933368    -12.29389356858564
  N           6.11881834366251      3.72420652087654    -13.23682946575699
  C           3.10449961734419      3.75870262072029    -11.16259268420634
  H           3.21094024441932      2.69562391014815    -10.99278583358671
  N           7.97406325596834      4.24673427457358    -14.56432751623414
  H           8.25490997407613      4.50656702132445    -15.49756710970837
  C           2.42107621091092      4.55384149307271    -10.26022865529087
  H           1.99200812289371      4.10092044184352     -9.37338503589639
  C           2.27466070425816      5.92093323326085    -10.46963960985322
  C           2.83955356058812      6.47834555392968    -11.61633279720331
  H           2.73863585696124      7.54276910802571    -11.79754387949821
  C           3.52518508997267      5.70033361790455    -12.52614175928711
  H           3.95535456683476      6.14359488986592    -13.41547062775548
  C           1.51632040679664      6.76996160829138     -9.50735910026190
  H           1.39641758616147      6.27301361012163     -8.54506446975285
  H           2.01321221444744      7.72843620371759     -9.34911139873539
  H           0.51709925899034      6.98864645512309     -9.89525326398684
  C           9.06188319228925      4.13118928563773    -13.57632778048708
  C           9.13469126299073      2.71050301692591    -13.03557118182431
  H           9.28729924657257      1.99836177081909    -13.84822502474247
  H           9.97541435947122      2.62918873226258    -12.34530203540369
  H           8.22565790493939      2.44158861695962    -12.49992406413548
  C           8.86129516345127      5.13571938370213    -12.45048699696816
  H           7.94746601767113      4.93198098351110    -11.89472550634001
  H           9.70345078539825      5.07741530279138    -11.75946727464255
  H           8.81201704787879      6.15117118715057    -12.84704468284022
  C          10.33786739719661      4.45836790654925    -14.33365905287664
  H          10.30004381856211      5.47000667136880    -14.74341066948584
  H          11.19047845973217      4.39579799829323    -13.65843955928865
  H          10.49765611246369      3.75382049575366    -15.15264223321454
*
