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

Title Card Required

0 1
 C                 -1.82795300    1.22725000    0.71662200
 H                 -2.11167400    1.67141100    1.68450100
 H                 -0.81599700    0.81250300    0.83727900
 C                 -1.79097700    2.33819900   -0.35341400
 H                 -2.80831400    2.76337400   -0.43796900
 H                 -1.54580100    1.90263300   -1.33613300
 C                 -0.82416200    3.43656600   -0.02416000
 H                 -0.93319700    3.88647800    0.97197700
 C                  0.14113300    3.88736800   -0.83641300
 H                  0.28297400    3.47240800   -1.84053600
 H                  0.81149100    4.69788200   -0.53418800
 S                  3.01623500   -0.27585500    0.24683400
 O                  3.99830900   -0.37310900   -0.82013600
 O                  3.36412200   -0.38204000    1.65391200
 Cl                 1.84859600    1.45791800   -0.04486200
 C                  1.67471500   -1.57656500   -0.10308000
 F                  1.16933900   -1.36981800   -1.30472300
 F                  2.26138400   -2.75791700   -0.04776000
 F                  0.73348600   -1.48641500    0.81693400
 C                 -2.78847500    0.11819300    0.36362000
 C                 -4.09502100    0.09952000    0.87618600
 C                 -2.40572900   -0.90019700   -0.52558400
 C                 -4.99375300   -0.91050400    0.51726800
 H                 -4.40895100    0.88546700    1.56920600
 C                 -3.30009700   -1.91152200   -0.88651400
 H                 -1.39323800   -0.90034400   -0.93590100
 C                 -4.59888900   -1.92062700   -0.36552900
 H                 -6.00570500   -0.90952500    0.93111400
 H                 -2.98106100   -2.69813800   -1.57558100
 H                 -5.29850000   -2.71263500   -0.64474700


