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

Title Card Required

0 1
 C                  1.86755300    1.45267100   -0.35395300
 H                  1.15938000    2.27836200   -0.19380800
 H                  1.91529000    1.29418300   -1.43902500
 C                  1.25384100    0.23368500    0.31264100
 H                  1.30618000    0.29148800    1.39991900
 C                 -0.14969700   -0.12291100   -0.14653300
 H                 -0.23998500   -0.16519300   -1.23552200
 H                 -0.49005900   -1.06674900    0.28505000
 S                 -1.39442300    1.10179100    0.42104200
 C                 -2.94329600    0.26946500    0.07280300
 O                 -1.32470900    2.31921200   -0.42118600
 O                 -1.24972800    1.24608500    1.88936100
 C                 -3.56157000    0.48273400   -1.16173400
 C                 -3.47729400   -0.59840900    1.02932500
 C                 -4.75342600   -0.19070200   -1.43932200
 H                 -3.12563600    1.16431500   -1.88460300
 C                 -4.66933600   -1.26447100    0.73771500
 H                 -2.97708400   -0.74526800    1.98116000
 C                 -5.30428000   -1.06125600   -0.49283200
 H                 -5.25050200   -0.03257600   -2.39199900
 H                 -5.10155800   -1.93856700    1.47147600
 H                 -6.23161200   -1.58235500   -0.71400400
 I                  2.49071400   -1.60143400   -0.09825300
 C                  3.23304200    1.87484900    0.19243800
 H                  3.96852500    1.08442600    0.00021300
 H                  3.16343500    1.98351700    1.28374600
 C                  3.71708200    3.18776700   -0.42847400
 H                  3.01750100    4.00756900   -0.21959300
 H                  4.69865200    3.47416000   -0.03140600
 H                  3.81017300    3.09711200   -1.51870900


