Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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A | B | C |
---|---|---|
8.09898 | 7.02363 | 3.70257 |
Description | Value | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
aHSiH | 92 | 2 | 1 | 3 | 1998Gup/Pra:1607 | ||
rSiH | 1.514 | 1 | 2 | 1998Gup/Pra:1607 |
Bond Type | Count |
---|---|
H-Si | 2 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
Si1 | 0.0000 | 0.0000 | 0.0000 |
H2 | 0.0000 | 0.0000 | -1.5141 |
H3 | 0.0000 | 1.5132 | 0.0528 |
Si1 | H2 | H3 | |
---|---|---|---|
Si1 | 1.5141 | 1.5141 | |
H2 | 1.5141 | 2.1783 | |
H3 | 1.5141 | 2.1783 |
squib | reference | DOI |
---|---|---|
1998Gup/Pra:1607 | Gupte, Prasad, Ground State Geometries and Vibrational Spectra of Small Hyrdogenated Silicon Clusters Using Nonorthogonal Tight-binding Molecular Dynamics, Inter. J. of Mod. Phys. B, Vol. 12, #15, pgs. 1607-1622 | 10.1142/S0217979298000880 |
1999Hir/Ish:4254 | Hirota, E.; Ishikawa, H. "The vibrational spectrum and molecular constants of silicon dihydride SiH2 in the ground electronic state." Journal of Chemical Physics. 110, 4254-4257 (1999) | 10.1063/1.478308 |
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