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

Title Card Required

0 1
 C                  1.54079000    1.76875400    0.25170500
 H                  1.33276100    2.36861700    1.14745400
 H                  2.46741500    1.22262000    0.46406500
 C                  0.43180300    0.72036200    0.05634300
 C                  0.62764200   -0.55847200    0.85183600
 H                  0.95732600   -0.37090600    1.87216900
 H                 -0.23888400   -1.21601500    0.84287700
 H                  0.28249000    0.49297300   -1.00409400
 S                 -1.19152400    1.44241400    0.57435900
 C                 -2.40319300    0.23451900    0.03520700
 O                 -1.41297100    2.69251600   -0.19017300
 O                 -1.22553000    1.50571700    2.05557200
 C                 -2.68343400    0.12984300   -1.33062700
 C                 -3.02457300   -0.58232200    0.98181300
 C                 -3.61210900   -0.82235200   -1.75365700
 H                 -2.19271400    0.77944000   -2.04875200
 C                 -3.95668300   -1.52720200    0.54464500
 H                 -2.78456300   -0.47894900    2.03458500
 C                 -4.24706300   -1.64780100   -0.81799600
 H                 -3.84202400   -0.91630500   -2.81100000
 H                 -4.45188000   -2.16770600    1.26869400
 H                 -4.97009300   -2.38608400   -1.15329700
 I                  2.21249200   -1.80246000   -0.04776200
 C                  1.76442200    2.67583900   -0.96229200
 H                  2.00838000    2.04698500   -1.82981000
 H                  0.83593700    3.20456300   -1.20359300
 C                  2.88989500    3.68417200   -0.72146200
 H                  3.83641600    3.17545800   -0.49549500
 H                  3.05072100    4.31644100   -1.60330500
 H                  2.65406300    4.34274400    0.12485800


