%maxcore 4000
%pal nprocs 16 end
! r2SCAN DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           5.60635986170319      5.24846837453240      3.48139442868322
  S           4.74589750496150      3.78044289437251      5.53891949942589
  C           6.45648577066026      3.66571593829161      5.12668124990665
  N           4.31716757118735      4.67982952655789      4.17512937967294
  O           5.89096399640404      6.67033818000144      3.56512833970946
  C           6.85385148684593      2.28300371661734      7.09199973342311
  H           5.78122750552826      2.07886290597403      7.03638805885469
  H           7.04409416278177      2.95188476131860      7.94031216926591
  N           6.83649333203168      4.36467683970115      4.07049596333901
  C           7.59846602113596      0.97138909333261      7.27568670135669
  H           7.36509492757715      0.54932923911915      8.25385764413420
  H           7.29853398676870      0.26065725460029      6.49258969615161
  N           7.29248924121579      2.92610064972270      5.85759453686595
  O           9.00658477386174      1.16938241881765      7.22963197907476
  C           9.38270203699434      1.68388251924142      5.95464698473589
  H           9.08719264995977      0.97356517290007      5.16957151285959
  H          10.46880235010902      1.78396847181718      5.95899184397527
  C           8.74433276274006      3.03549194793197      5.69873529502999
  H           9.12490250703499      3.77354604441480      6.41616432380495
  H           8.96501612172426      3.37599647257517      4.68872007770621
  C           5.47838266279723      4.86135122958104      1.76591631981873
  C           5.75759988633587      5.83087636181201      0.80939397702156
  H           6.04112047552102      6.82973791384032      1.11643282580521
  C           5.66422908652493      5.49714685500783     -0.53715767503280
  H           5.87916578960117      6.25026619575279     -1.28827981337898
  C           5.29951471686454      4.21073112877619     -0.93907114362725
  C           5.02820626243521      3.25228965157298      0.04721756991474
  H           4.74563251500890      2.24704053145645     -0.24910869970851
  C           5.11258188906347      3.56801342812575      1.39261480718969
  H           4.89634582444646      2.82336651673680      2.15087016034792
  C           5.18238938675067      3.85633165392558     -2.39020654116120
  H           4.13286816617371      3.70851803735450     -2.66333136942598
  H           5.70228114167317      2.91992802944771     -2.60645264158177
  H           5.59100164557718      4.64198102476976     -3.02609620415771
*