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# RHF/6-31G(d) OPT=QST2 Freq Test

Untitled

0,1
reactance(SiH4)

Untitled

0,1
product(SiH2+H2)

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%chk=qst2
#hf/3-21g* opt=(QST2,noeigen,redundant) freq Test

SiH4 -->SiH2+H2   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=1.48
A1=125.2
A2=109.5

SiH4-->SiH2+H2  products

2  3
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=1.69
A1=82.0
A2=28.0

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Originally posted by gaochao85 at 2008-10-6 17:19:
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Originally posted by gaochao85 at 2008-10-6 16:40:
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