%nprocshared=12
%mem=2GB
%chk=CGET_0024_CpstarRhOAcArAlkyne_spbs.chk
#p opt freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane) Temperature=383.15

Title Card Required

1 1
 C                  0.06406600    1.60767200   -0.37521300
 C                  0.84857200    0.65414600   -0.38127100
 C                 -2.04100300   -1.97327400   -0.95046400
 C                 -2.00370800   -0.84384800   -1.81794200
 C                 -2.89671900   -1.64531500    0.17665700
 C                 -2.83831400    0.18605700   -1.24614700
 C                 -3.42825600   -0.33172700   -0.04483600
 Si                 2.47559400   -0.28777300   -0.20187700
 C                  3.00405800   -0.03351900    1.60517200
 H                  2.47434700   -0.82582000    2.15167900
 C                  2.15055400   -2.10435900   -0.61244100
 H                  1.18692300   -2.32059700   -0.13298500
 C                  3.57877100    0.56005400   -1.49324300
 H                  3.01336600    0.47226300   -2.43270300
 O                 -0.10289900   -1.21553200    1.77079400
 C                 -0.43724400   -0.28722200    2.57138800
 O                 -1.19393300    0.63264900    2.12760400
 C                  0.02208700   -0.29338400    3.99319800
 H                  1.02289800   -0.72283300    4.06579600
 H                  0.00817200    0.71564700    4.40624900
 H                 -0.66056700   -0.92033400    4.57638000
 Rh                -1.26853100   -0.28378700    0.17305200
 C                  4.51411900   -0.24866000    1.79911600
 C                  2.58502200    1.31731700    2.20315900
 C                  3.78825500    2.05347000   -1.20729900
 C                  4.93009700   -0.14299400   -1.70325600
 C                  3.18686500   -3.06420300   -0.01092500
 C                  2.00026600   -2.32606900   -2.12292500
 H                  4.76024100   -0.25995700    2.86783700
 H                  4.86960600   -1.19082900    1.37018900
 H                  5.08857200    0.56441200    1.34191200
 H                  3.24955700   -2.96839000    1.07785600
 H                  2.91923200   -4.10423500   -0.23459800
 H                  4.18846600   -2.89306800   -0.42150800
 H                  2.94967400   -2.17567300   -2.64773900
 H                  1.67409000   -3.35118500   -2.33654400
 H                  1.26959600   -1.64230400   -2.56625900
 H                  3.08064600    2.15095500    1.69314200
 H                  1.50754700    1.49181700    2.13583700
 H                  2.86577600    1.36964900    3.26210000
 H                  5.57250900   -0.05307400   -0.82217000
 H                  4.82062900   -1.20897000   -1.92532900
 H                  5.46563200    0.31435000   -2.54404900
 H                  4.33789300    2.53037100   -2.02772300
 H                  2.84114300    2.59123000   -1.09049100
 H                  4.37116900    2.20282800   -0.29185600
 Br                -0.59563600    3.29594500   -0.32857500
 C                 -1.29524700   -0.70932700   -3.12241500
 C                 -3.18771100    1.47132800   -1.91214500
 C                 -4.37292800    0.40125700    0.83924000
 C                 -3.23688800   -2.55756100    1.30559800
 C                 -1.35295700   -3.27959500   -1.13406000
 H                 -3.46169900    2.24138300   -1.18951200
 H                 -2.36889000    1.83786500   -2.53385500
 H                 -4.05205400    1.30018700   -2.56355200
 H                 -5.38798900    0.27669400    0.44550500
 H                 -4.35131800    0.01557500    1.85923100
 H                 -4.14821300    1.46964000    0.85921000
 H                 -4.17867900   -3.07276400    1.08881300
 H                 -2.46033200   -3.31024200    1.45071400
 H                 -3.35922800   -2.00363500    2.23865600
 H                 -2.09808100   -4.03613700   -1.40269400
 H                 -0.60465100   -3.23468500   -1.92476200
 H                 -0.86925400   -3.60456700   -0.20964300
 H                 -2.03146300   -0.50778800   -3.90704400
 H                 -0.58949100    0.12598100   -3.10355600
 H                 -0.75885100   -1.62098400   -3.38432400

-C -H -O -Si -N -F
6-31G(d,p)
****
-Br
LANL2DZ
D 1 1.0
0.428 1.0
****
-Rh
LANL2DZ
F 1 1.0
1.35 1.0
****
-Ag
LANL2DZ
F 1 1.0
1.611 1.0
****

-Br -Rh -Ag
LANL2DZ




