%maxcore 4000
%pal nprocs 16 end
! wB97X-D4 DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           5.58637676586581      5.28464615915756      3.50407226837675
  S           4.73939307504970      3.79889459233814      5.54058158988782
  C           6.44420792381456      3.71064216115440      5.13913508879858
  N           4.31677177710255      4.72015512145635      4.20013773900109
  O           5.85074344214749      6.70359447820539      3.57824567164774
  C           6.85084110915572      2.29072056266742      7.07738933740303
  H           5.77569698892750      2.10587796208716      7.03916517347576
  H           7.07083296408258      2.91926274565426      7.94688195485204
  N           6.81877943877380      4.42248022538819      4.09661671001372
  C           7.57377128855464      0.95687622438656      7.18955162986116
  H           7.35228536421035      0.49825754016529      8.15394791114365
  H           7.23939528814719      0.28608390641144      6.38676781613768
  N           7.28126599912582      2.97785593491512      5.86300645245068
  O           8.98095260255645      1.12801048396359      7.11636644944278
  C           9.34657392595883      1.68893475305985      5.86233758725835
  H           9.02380320064056      1.02212264114190      5.05155973037452
  H          10.43439795378954      1.76684709851680      5.84875006839202
  C           8.73058200813418      3.06514028715146      5.67688661792063
  H           9.14013676182543      3.76467227261009      6.41417668259598
  H           8.93930544711177      3.44100438712751      4.67766320243784
  C           5.47806344436979      4.87730956496026      1.80016141949167
  C           5.76059664714463      5.82957019462621      0.83483179678386
  H           6.03531410140870      6.83502100240050      1.12728383843473
  C           5.68218503366555      5.47354215881671     -0.50664850469860
  H           5.89944069771714      6.21482707335758     -1.26853189721442
  C           5.32957458356452      4.18136766667373     -0.88589434780697
  C           5.05368667965015      3.23829162455534      0.11080562503970
  H           4.77877316140574      2.22699499600198     -0.17150478081472
  C           5.12337508724409      3.57799666137982      1.44875992157753
  H           4.90350527181709      2.84628670411193      2.21810681205540
  C           5.23264846537116      3.79689370328287     -2.33772611336641
  H           4.19482230304025      3.57800204657553     -2.60480395488628
  H           5.81857944390208      2.89656498023884     -2.53883260066593
  H           5.59129977472399      4.59936306545996     -2.98386590540164
*
