%maxcore 4000
%pal nprocs 16 end
! wB97X-D4 DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           0.09769392967988     13.20223453609968      6.50880962489788
  S           0.92352657729593     15.35929202206193      7.76490969332311
  N           1.02632898248012     13.77803438121011      7.62697655053270
  O          -0.82486463278743     12.18540560201793      6.92195239073361
  C          -0.32462504690843     15.59207467153057      6.44175390802170
  N          -0.67014911539572     14.47307353964266      5.86100524631892
  O           0.35417337009258     15.76143875899837      9.02207150750633
  C          -1.77868523077941     16.96915148518316      5.07778871681159
  H          -2.69936173615802     17.34265702935378      5.53379055603474
  H          -1.97438235208458     16.01601196040486      4.59256236431443
  N          -0.79444298253639     16.77584824304079      6.15171979390469
  O           2.13840728126462     16.01791252125157      7.36315223981749
  C          -1.22689263057479     17.98175859666028      4.08516470392457
  H          -0.34090011695934     17.56717254819068      3.58613283625392
  H          -1.98513734004360     18.21107776905793      3.33567071477512
  O          -0.89171922496453     19.20111878328837      4.73189672299523
  C           0.10290643543366     18.99327132705074      5.72347737369637
  H           0.31787208521081     19.96281223372361      6.17400238475252
  H           1.01773052815465     18.59878922648511      5.26137542108490
  C          -0.38504921468737     18.03003739545090      6.79598574972038
  H           0.39976667118800     17.85579661300947      7.52649275461703
  H          -1.25964030361932     18.44043818797906      7.30699516374956
  C           1.11302671212401     12.55867675377006      5.24082300292318
  C           2.29846176255653     13.21200796723197      4.91835059063161
  H           2.61443755823695     14.08960088089295      5.47040477270324
  C           3.07271849064475     12.71523146196123      3.88664208435318
  H           4.00066289856608     13.21475223787567      3.62810606342504
  C           2.68115753526527     11.57602853739761      3.17516167631856
  C           1.48912344734064     10.94417998786362      3.52170377782585
  H           1.17363806081837     10.05946635791999      2.97916505770113
  C           0.69678057211946     11.42862734279762      4.55390364577123
  H          -0.22797064270705     10.93349340332752      4.82231487884522
  C           3.54820715694751     11.04261725470305      2.06738967995802
  H           3.81447805070856     11.83910646801002      1.36836520861144
  H           3.04300579680753     10.24701714132401      1.51807769265054
  H           4.47969366726999     10.64050177323132      2.47607145049430
*
