%chk=Br_interm_Ph_butene_def2.chk
%mem=120GB
%nprocshared=24
#p opt freq=noraman ub3lyp scrf=(smd,solvent=DiChloroEthane) pop=full
def2svp empiricaldispersion=gd3bj gfinput iop(6/7=3) scf=save

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0 2
 C                  0.12768800   -0.40462300   -0.62712000
 H                  0.20706400   -1.11262800   -1.46757400
 H                  0.66243400    0.51145000   -0.91788200
 C                  0.84382400   -1.01705100    0.60983100
 H                  0.30142000   -1.93874400    0.88805400
 H                  0.75150200   -0.31546900    1.45566200
 C                  2.27595500   -1.33166200    0.35553500
 H                  2.51117000   -2.13065600   -0.35705900
 C                  3.35711900   -0.45637000    0.77671200
 H                  3.17019300    0.06320300    1.72444600
 H                  4.34892500   -0.92138600    0.76371300
 C                 -1.32111200   -0.09469400   -0.34714500
 C                 -2.31550900   -1.06958200   -0.52967100
 C                 -1.70121500    1.16111000    0.15370400
 C                 -3.65248900   -0.79727700   -0.22487700
 H                 -2.03619000   -2.05261400   -0.91999500
 C                 -3.03707500    1.43783000    0.45990600
 H                 -0.93807900    1.93085600    0.30129400
 C                 -4.01818600    0.45847400    0.27182700
 H                 -4.41280300   -1.56777600   -0.37841500
 H                 -3.31376600    2.42315300    0.84448700
 H                 -5.06337800    0.67366300    0.50837600
 Br                 3.55456770    0.99415762   -0.45010650



