%maxcore 4000
%pal nprocs 16 end
! BP86 DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           4.55985036044344      3.34611501206929    -13.40433832707552
  S           5.58786734924229      3.98670848627015    -15.79373169930407
  O           4.34577023922282      1.94622039318985    -13.01351840765150
  N           4.16838443888347      3.84849447779659    -14.85591167749590
  C           6.70308542173481      4.00904512482840    -14.39680268795904
  C           3.62849021666737      4.34483424606843    -12.26463500942073
  N           6.14603105139767      3.75724957033148    -13.22003295514284
  C           3.04135159495596      3.74741517022735    -11.14588795788328
  H           3.13812907891838      2.67406986896237    -10.98643944223500
  N           8.00656980686701      4.24110337422444    -14.59658488149551
  H           8.28215781287170      4.47664636502512    -15.54740171830574
  C           2.33134376305665      4.54381303809505    -10.24448884765795
  H           1.87153629050030      4.07956356792232     -9.36971718931225
  C           2.19774180435877      5.92693711983670    -10.44299195965756
  C           2.80043741504309      6.50071626631165    -11.57920618026666
  H           2.70818039689212      7.57493863282917    -11.75260192243957
  C           3.51223772676910      5.72328890983970    -12.48866023499761
  H           3.97143598133737      6.17680595975110    -13.36730634848341
  C           1.42265506575526      6.78088151671127     -9.47551182536057
  H           1.11934216109175      6.20829681731186     -8.58987489019375
  H           2.01907790299918      7.64512756911678     -9.14752900850877
  H           0.51431986759808      7.18182437098479     -9.95200351294116
  C           9.11915515668309      4.12949669621531    -13.60284415081070
  C           9.17787997999589      2.70212206267729    -13.03474325841702
  H           9.32251808887670      1.97035590273358    -13.84232146700236
  H          10.02457173112180      2.62265019344325    -12.33841627220692
  H           8.25871693272978      2.45161420440066    -12.49006888955536
  C           8.93053432992736      5.16535081576215    -12.48216438737089
  H           8.00826611198633      4.97778113053658    -11.91799276856493
  H           9.78007226056158      5.10780897743829    -11.78693958413820
  H           8.89082070635110      6.18206747756795    -12.89844905132325
  C          10.40325092869120      4.43543747296765    -14.38626113758604
  H          10.37004632078301      5.44794184131109    -14.81546524417832
  H          11.26720724827100      4.37592394610939    -13.71180464312946
  H          10.55019045741396      3.71000742113246    -15.20024646192693
*
