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

 TpBr3Ir-ethyl-ethylene-H-TSethyl

0 1
 Ir                17.60879000    3.38737900   12.58687100
 N                 17.76007100    2.34811800   15.60051600
 N                 18.03896700    3.48852100   14.92319300
 N                 15.80303400    1.52806100   14.24527500
 N                 15.75448800    2.46693100   13.26883300
 N                 18.11907900    0.58871100   13.82404900
 N                 18.50970800    1.38763500   12.80504800
 C                 18.53548500    4.34106200   15.80967400
 C                 18.59168300    3.77009600   17.09391800
 C                 18.08403100    2.49419100   16.90513700
 C                 14.46663000    2.66735100   12.98852000
 C                 13.65186100    1.84659500   13.78716900
 C                 14.55110900    1.14338500   14.57346100
 C                 19.48548500    0.75205200   12.16257400
 C                 19.73474900   -0.49990800   12.75215300
 C                 18.84033000   -0.55427200   13.81086900
 B                 17.13995500    1.11396100   14.89604200
 H                 16.93836400    0.25357100   15.70537300
 Br                11.79882100    1.73245800   13.79572900
 Br                19.20193600    4.53844200   18.67099600
 Br                20.97781900   -1.78106500   12.24104200
 Br                17.86837300    1.17096100   18.19246900
 Br                19.08449000    6.07114300   15.38367400
 Br                18.63083800   -1.93583600   15.03408700
 Br                20.39978800    1.46892300   10.71092700
 Br                14.15168500   -0.11141200   15.88279900
 Br                13.83545100    3.86272700   11.71349500
 H                 19.04246700    3.98073800   12.05905300
 C                 17.00363600    5.37860500   12.39729900
 H                 16.78529400    5.86019100   13.36149100
 H                 16.23742100    5.56852700   11.63486300
 C                 18.37586900    5.31687500   11.96521400
 H                 18.58024000    5.41366500   10.88894700
 H                 19.15331600    5.78840800   12.58005800
 C                 17.17230400    3.09009200   10.57279200
 H                 18.10047500    3.24753400    9.99048000
 H                 16.47235100    3.88400700   10.24694700
 C                 16.59375000    1.73390100   10.22439700
 H                 15.64549000    1.52398900   10.74716400
 H                 16.37766900    1.66625800    9.14203500
 H                 17.28027400    0.90314700   10.45984200

1 28 B
28 32 B

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

TpBr3Ir-ethyl-ethylene-H-TSethyl

0  1

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

TpBr3Ir-ethyl-ethylene-H-TSethyl

0  1