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#p RHF/6-31G(d) Opt=QST2

SiH2 + H2 --> SiH4 Reactants

0,1
Si
X 1 1.0
H 1 1.48 2 55.0
H 1 1.48 2 55.0 3 180.0
H 1 R 2 A1 3 90.0
H 1 R 5 A2 2 180.0

R=2.0
A1=80.0
A2=22.0

SiH2 + H2 --> SiH4 Products

0,1
Si
X 1 1.0
H 1 1.48 2 55.0
H 1 1.48 2 55.0 3 180.0
H 1 R 2 A1 3 90.0
H 1 R 5 A2 2 180.0

R=1.48
A1=125.2
A2=109.5
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zhangmt

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zhaoyxcas(½ð±Ò+3): 2010-11-11 16:05:49
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[ Last edited by zhangmt on 2010-11-11 at 13:50 ]
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zhaoyxcas(½ð±Ò+3): 2010-11-11 16:05:57
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2Â¥2010-11-11 11:40:15
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zhaoyxcas

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Originally posted by zhangmt at 2010-11-11 13:49:43:
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4Â¥2010-11-11 15:51:26
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zhaoyxcas

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Originally posted by manson1998 at 2010-11-11 11:40:15:
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