%maxcore 4000
%pal nprocs 16 end
! B3LYP DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           0.16814338487267     13.22265509398463      6.49588600351219
  S           0.94687059843963     15.39529417229122      7.81081950719596
  N           1.10862943880980     13.80851643065761      7.61219292945446
  O          -0.77392056375399     12.21515481295936      6.91383289460702
  C          -0.28441409953571     15.63148061031326      6.42494678781553
  N          -0.60519286107482     14.50681754340975      5.84101490392022
  O           0.30877691285484     15.72905084476267      9.06387888687321
  C          -1.77100092417454     16.98435934217423      5.05460818173102
  H          -2.71614389235542     17.26340055751889      5.52697258057437
  H          -1.89757270656154     16.04227812197708      4.52934384675365
  N          -0.76819131973111     16.81405553119724      6.12361573844982
  O           2.17238064240957     16.09864157464801      7.50526132408960
  C          -1.31296528060672     18.07916235762499      4.09952395741710
  H          -0.41600463819496     17.75326147740188      3.55883981276582
  H          -2.10437223152766     18.28758862518271      3.38044145501920
  O          -1.04681414192187     19.29389293664260      4.79340142211060
  C          -0.02422744788836     19.11725822397047      5.76744021624348
  H           0.11908143945128     20.07840318712385      6.25976713904621
  H           0.91228893811451     18.82198522691577      5.27864239553806
  C          -0.42040151422148     18.07252271482247      6.80456078204729
  H           0.39610234580267     17.91860682455339      7.50315706677918
  H          -1.30093167900698     18.40700420532780      7.35807515055283
  C           1.17791486735170     12.53984062062295      5.21963455274018
  C           2.41183460416703     13.11407913801318      4.91716130897090
  H           2.78141928859582     13.95913705901747      5.48181277531447
  C           3.16753602187432     12.57918811339717      3.88686170145336
  H           4.12817108671850     13.02199120550112      3.65254821525780
  C           2.71502840243484     11.47790242147058      3.14934306363067
  C           1.47447539637298     10.92480983451260      3.47466555806096
  H           1.10516896908833     10.07305015287847      2.91670964828713
  C           0.70114453695191     11.44490123256792      4.50453594359522
  H          -0.25521640185685     11.00429659002492      4.74854269529735
  C           3.55965206916032     10.89712513196665      2.04963701807537
  H           3.97345056649212     11.68393639106353      1.41614049127658
  H           2.98483670974515     10.21182269169665      1.42709704617310
  H           4.40444048270390     10.34324400180449      2.46925299936928
*
