%chk=sp_Br_interm_Ph_butene_def2.chk
%mem=120GB
%nprocshared=24
#p ub3lyp scrf=(smd,solvent=dichloroethane) pop=full
def2tzvpp empiricaldispersion=gd3bj gfinput iop(6/7=3) scf=save

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0 2
 C                  0.54539400    0.55107500   -0.67287700
 H                  0.53854600    1.18168000   -1.57652100
 H                 -0.08433800   -0.32688400   -0.88180900
 C                 -0.09479200    1.33796500    0.49474000
 H                  0.51577700    2.24378600    0.67211100
 H                 -0.05919900    0.73806800    1.41768700
 C                 -1.49114200    1.76393300    0.20810100
 H                 -1.65724900    2.32886400   -0.71723700
 C                 -2.57681600    1.45255200    0.98547800
 H                 -2.44599400    0.96828700    1.95674600
 H                 -3.56001100    1.87347200    0.76595200
 C                  1.95441200    0.11531300   -0.35685700
 C                  3.05148400    0.93623500   -0.66246900
 C                  2.19326200   -1.10463200    0.29621000
 C                  4.35244100    0.54841300   -0.32854000
 H                  2.88217900    1.88889600   -1.17280500
 C                  3.49226300   -1.49588300    0.63262600
 H                  1.34811200   -1.75508900    0.53944800
 C                  4.57714600   -0.66966900    0.32118800
 H                  5.19480600    1.19851700   -0.57936000
 H                  3.65868700   -2.45132400    1.13716400
 H                  5.59386400   -0.97512000    0.58111200
 Br                -3.08420300   -0.78642700   -0.21851600

