%chk=sp_DCE_EDA_Br_butene_Ph.chk
%mem=120GB
%nprocshared=24
#p b3lyp scrf=(smd,solvent=dichloroethane) pop=full
def2tzvpp empiricaldispersion=gd3bj

Title Card Required

0 1
 C                 -2.03997500    1.10196400    0.77547100
 H                 -2.30209700    1.52481800    1.75916400
 H                 -1.05277300    0.62866400    0.88307100
 C                 -1.94609800    2.24976400   -0.25102800
 H                 -2.93430000    2.74412500   -0.30040200
 H                 -1.74890900    1.84297600   -1.25645900
 C                 -0.91224700    3.27663000    0.10093100
 H                 -0.92290400    3.63232400    1.13980600
 C                 -0.00170200    3.78518900   -0.74625500
 H                  0.03561700    3.47726100   -1.79692300
 H                  0.70701000    4.55504700   -0.42688600
 S                  2.91386600   -0.57760100    0.13406800
 O                  3.74112200   -0.77195900   -1.05092200
 O                  3.44661000   -0.67595500    1.48790800
 C                  1.49847100   -1.84792600    0.02102400
 F                  0.90326800   -1.73243800   -1.15354500
 F                  2.03239000   -3.04908800    0.14819800
 F                  0.63438900   -1.62512900    0.99543300
 C                 -3.05504700    0.05837700    0.37811500
 C                 -4.40423700    0.18656300    0.74447500
 C                 -2.67851300   -1.04084600   -0.41047300
 C                 -5.35142500   -0.75769800    0.33752400
 H                 -4.71357000    1.03588100    1.36063600
 C                 -3.62226100   -1.98750300   -0.81925200
 H                 -1.63201500   -1.15718900   -0.70248600
 C                 -4.96327400   -1.84883100   -0.44679500
 H                 -6.39660700   -0.64295100    0.63685100
 H                 -3.30848700   -2.83881800   -1.42918500
 H                 -5.70202500   -2.58926700   -0.76388000
 Br                 1.67356500    1.34908100   -0.07878500

