Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31G
25 | |||||||||||||||||||||||||||||||
20 | |||||||||||||||||||||||||||||||
15 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.527 | 0.034 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHCl3 | Trichlorosilane | 1.500 |
Highest value | SiH- | silicon monohydride anion | 1.625 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH- | silicon monohydride anion | 1.625 | 1 | 2 |
SiH | Silylidyne | 1.590 | 1 | 2 |
SiH+ | silicon monohydride cation | 1.578 | 1 | 2 |
SiH2- | silicon dihydride anion | 1.607 | 1 | 2 |
1.607 | 1 | 3 | ||
SiH2 | silicon dihydride | 1.578 | 1 | 2 |
1.578 | 1 | 3 | ||
SiH2+ | silicon dihydride cation | 1.531 | 1 | 2 |
1.531 | 1 | 3 | ||
SiH3- | Silyl anion | 1.588 | 1 | 2 |
1.588 | 1 | 3 | ||
1.588 | 1 | 4 | ||
SiH3 | Silyl radical | 1.514 | 1 | 2 |
1.514 | 1 | 3 | ||
1.514 | 1 | 4 | ||
SiH3+ | Silyl cation | 1.504 | 1 | 2 |
1.504 | 1 | 3 | ||
1.504 | 1 | 4 | ||
SiH4 | Silane | 1.510 | 1 | 2 |
1.510 | 1 | 3 | ||
1.510 | 1 | 4 | ||
1.510 | 1 | 5 | ||
SiH3F | monofluorosilane | 1.511 | 1 | 3 |
1.511 | 1 | 4 | ||
1.511 | 1 | 5 | ||
SiH3Cl | chlorosilane | 1.506 | 1 | 3 |
1.506 | 1 | 4 | ||
1.506 | 1 | 5 | ||
SiH3Br | bromosilane | 1.506 | 1 | 3 |
1.506 | 1 | 4 | ||
1.506 | 1 | 5 | ||
CH2SiH2 | silaethylene | 1.503 | 2 | 5 |
1.503 | 2 | 6 | ||
CH3SiH3 | methyl silane | 1.514 | 2 | 6 |
1.514 | 2 | 7 | ||
1.514 | 2 | 8 | ||
Si2H6 | disilane | 1.513 | 1 | 3 |
1.513 | 1 | 4 | ||
1.513 | 1 | 5 | ||
1.513 | 2 | 6 | ||
1.513 | 2 | 7 | ||
1.513 | 2 | 8 | ||
SiH2Cl2 | dichlorosilane | 1.502 | 1 | 2 |
1.502 | 1 | 3 | ||
SiH2(CH3)2 | dimethylsilane | 1.518 | 1 | 2 |
1.518 | 1 | 3 | ||
SiHCl3 | Trichlorosilane | 1.500 | 1 | 2 |
SiH3CCl3 | (trichloromethyl)silane | 1.506 | 1 | 3 |
1.506 | 1 | 4 | ||
1.506 | 1 | 5 |