%mem=25GB
%chk=TpBr3Ir-vin-H-ethane-TSvinyl.chk
#p m06/def2svp opt=(calcfc,ts,noeigentest,modredundant) symmetry=none int=ultrafine scrf=(smd,solvent=Benzene)

 TpBr3Ir-vin-H-ethane-TSvinyl

0 1
 Ir                17.60449700    3.02257800   12.41994800
 N                 17.68406100    2.42046100   15.42746000
 N                 18.15171400    3.31731400   14.52246100
 N                 15.71905800    1.30951900   14.27407800
 N                 15.64994800    2.12931800   13.20364000
 N                 18.08405200    0.39357600   14.00530900
 N                 18.55861800    1.05423800   12.92101100
 C                 18.79135300    4.26905700   15.19848600
 C                 18.72680000    4.01487800   16.57976600
 C                 18.01590200    2.82626900   16.67128500
 C                 14.37377200    2.19720900   12.84604000
 C                 13.57531100    1.40611800   13.69193700
 C                 14.48364300    0.86156500   14.58932400
 C                 19.56336600    0.33488300   12.43112600
 C                 19.74749700   -0.83754600   13.18452500
 C                 18.78463200   -0.74796800   14.18037400
 B                 17.07102300    1.06443100   14.97271900
 H                 16.91187700    0.35416200   15.92467200
 Br                11.73733200    1.15027400   13.62698100
 Br                19.44201800    5.02465400   17.96386500
 Br                20.99681800   -2.18531900   12.92075100
 Br                17.55468600    1.90825200   18.21797400
 Br                19.68820200    5.67959800   14.39344300
 Br                18.46829500   -1.96133900   15.55034500
 Br                20.59846800    0.87235500   10.98135000
 Br                14.12532800   -0.28861900   16.00257700
 Br                13.77686800    3.22986400   11.41469600
 C                 17.32009100    2.25012200   10.39075900
 H                 17.89027800    1.31616700   10.50421200
 H                 16.27211000    1.94175900   10.22333800
 C                 17.83192600    3.05703900    9.21917800
 H                 18.87888300    3.37028100    9.36262700
 H                 17.78741300    2.46353800    8.28906300
 H                 17.23616800    3.97083100    9.05010300
 H                 16.71623000    3.52551900   11.22814800
 C                 16.87833400    4.94416200   12.42448000
 H                 16.16258800    5.10395100   13.25156400
 C                 17.17849200    5.97769700   11.63553300
 H                 17.87653500    5.89218600   10.79231600
 H                 16.75368200    6.97345500   11.81759300
 H                 18.95008000    3.64330200   11.88452000

28 35 B
35 36 B

--Link1--
%mem=25GB
%chk=TpBr3Ir-vin-H-ethane-TSvinyl.chk
#p m06/def2svp freq symmetry=none int=ultrafine scrf=(smd,solvent=Benzene) geom=check guess=read

TpBr3Ir-vin-H-ethane-TSvinyl

0  1

--Link1--
%mem=25GB
%chk=TpBr3Ir-vin-H-ethane-TSvinyl.chk
#p m06/def2tzvp symmetry=none int=ultrafine scrf=(smd,solvent=Benzene) geom=check guess=read

TpBr3Ir-vin-H-ethane-TSvinyl

0  1