%chk=sp_sulfonylpentene_a.chk
%mem=120GB
%nprocshared=20
#p b3lyp/Def2TZVPP scrf=(smd,solvent=acetonitrile) pop=full
empiricaldispersion=gd3bj 

Title Card Required

0 2
 C                  2.59226600   -0.80755700   -0.44882200
 H                  2.64224600   -1.38653600    0.48188800
 H                  2.99952800   -1.45245000   -1.23881400
 C                  1.11718000   -0.58993600   -0.81902400
 C                  0.37488300   -1.84572800   -1.02584400
 H                  0.60158000   -2.71595300   -0.41691800
 H                 -0.46399600   -1.88955400   -1.71162500
 H                  1.00857100    0.09066800   -1.67056300
 S                  0.27217700    0.39638200    0.56275500
 C                 -1.47953100    0.22398500    0.20499200
 O                  0.61890800    1.83503700    0.43158000
 O                  0.54481200   -0.28371700    1.85427300
 C                 -2.06099400    1.08089600   -0.73215900
 C                 -2.20968700   -0.78639800    0.83457200
 C                 -3.41327900    0.91994300   -1.04161500
 H                 -1.47269600    1.86028300   -1.20569500
 C                 -3.56195100   -0.93423200    0.51841500
 H                 -1.73147800   -1.43787800    1.55817400
 C                 -4.16061200   -0.08510300   -0.41830000
 H                 -3.88146700    1.58062400   -1.76563100
 H                 -4.14544600   -1.71169900    1.00319400
 H                 -5.21263700   -0.20543000   -0.66179600
 C                  3.45950800    0.45141200   -0.34219000
 H                  3.33105200    1.05676200   -1.24993900
 H                  3.12617600    1.07280700    0.49596800
 C                  4.93809400    0.09960800   -0.15928900
 H                  5.55274300    1.00464500   -0.07981100
 H                  5.09263800   -0.49140200    0.75302300
 H                  5.31333000   -0.48888700   -1.00677500


