%nprocshared=24
%mem=123GB
%chk=T_scis_strans_BromoCinn.chk
#p opt=(calcfc,ts,noeigentest,maxcyc=500) freq=noraman scrf=(smd,solvent=dichloroethane,read) nosymm pop=full geom=connectivity
def2svp empiricaldispersion=gd3 iop(6/80=1) rm062x scf=(maxcycle=250,xqc)

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0 1
 C                 -0.01299300    0.06598400   -0.03321900
 C                 -0.00204200    0.07416500    1.46294900
 O                 -0.03271700    1.06310500   -0.70352000
 C                 -1.13093100    0.01485200    2.17770400
 C                 -1.24707000    0.03020900    3.64762600
 C                 -0.13942100    0.18567700    4.49659800
 C                 -2.51636700   -0.11632300    4.22494900
 C                 -0.30066700    0.18820400    5.87803600
 H                  0.85978600    0.31122300    4.07588300
 C                 -2.67878500   -0.11382800    5.60929600
 H                 -3.38651500   -0.23471200    3.57535100
 C                 -1.57073600    0.03777800    6.44050300
 H                  0.57085900    0.31121600    6.52304500
 H                 -3.67505600   -0.23006700    6.03889000
 H                  0.98472400    0.12565200    1.93637300
 H                 -2.08375300   -0.05435900    1.64044400
 H                  0.00606600   -0.94132200   -0.51639400
 Br                -1.78582151    0.04420403    8.33834307

 1 2 1.0 3 2.0 17 1.0
 2 4 2.0 15 1.0
 3
 4 5 1.0 16 1.0
 5 6 1.5 7 1.5
 6 8 1.5 9 1.0
 7 10 1.5 11 1.0
 8 12 1.5 13 1.0
 9
 10 12 1.5 14 1.0
 11
 12 18 1.0
 13
 14
 15
 16
 17
 18

alpha=1.2


