%maxcore 4000
%pal nprocs 16 end
! O3LYP DEF2-TZVP CPCM(DMSO) def2/j verytightscf rijcosx DefGrid3 FREQ
*xyz 0 1
  S           2.57319035576579      3.37368982606489    -13.76467265052127
  S           3.14479878472165      1.19194398082913    -12.39183518534503
  C           2.89812366154452      2.63094775505356    -11.47447187485623
  N           3.12588433319703      1.91671488366545    -13.88249643975398
  O           1.24712363875529      3.66675968407630    -14.25245247827701
  C           3.67853408958591      4.42757698380825    -14.62005467446264
  N           2.69904869333737      3.71465573165036    -12.18156644964827
  C           5.04654798548117      4.22929652775792    -14.49069583358118
  H           5.42576799493283      3.41725568562420    -13.88310444568006
  C           5.91429594016533      5.07537319162335    -15.14890724365829
  H           6.98306835587473      4.92208272997433    -15.04876626333376
  C           5.44178777601556      6.12230287934405    -15.93994047721968
  C           4.06632455012159      6.29985166408681    -16.04875275118497
  H           3.67931242204292      7.11025123173254    -16.65612367650903
  C           3.18100212562313      5.46130227214949    -15.39682590165608
  H           2.11269186963361      5.60409844308872    -15.48946536972754
  C           6.39174162895810      7.01263421664887    -16.66490663641767
  H           5.90467493692081      7.92737328368449    -17.00116174273030
  H           7.24324912922659      7.27717801414336    -16.03592266834612
  H           6.79263306029301      6.50488904929737    -17.54704755645782
  C           2.89122312839781      2.62015777198196    -10.02745073045357
  C           3.34503116516649      1.51728016682187     -9.30687927738461
  H           3.73819288643806      0.64955526667599     -9.82567621303673
  C           3.33019185615555      1.50448775477880     -7.92799745917038
  H           3.69493722482907      0.63403185370298     -7.40151792430891
  C           2.85586257794711      2.61699121391798     -7.23430631594979
  O           2.80052489275154      2.70762008277833     -5.90119252585398
  C           2.40282283076117      3.73048311946225     -7.94558739146154
  H           2.03521247583627      4.58783514576815     -7.39471729224969
  C           2.42037062272129      3.73020051472884     -9.31801170847143
  H           2.05852309332735      4.59327497781480     -9.86191200161443
  C           3.23802928108194      1.60908159395251     -5.12370372001788
  H           4.29492395491301      1.39600166967532     -5.30180076335605
  H           3.09702896943583      1.90293493652742     -4.08620361879851
  H           2.64444270804028      0.71599589710905     -5.33390073850470
*
