Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/STO-3G
14 | ||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.126 | 0.058 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl+ | silicon monochloride cation | 2.057 |
Highest value | SiCl- | silicon monochloride anion | 2.358 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.358 | 1 | 2 |
SiCl | Clorosilylidyne | 2.149 | 1 | 2 |
SiCl+ | silicon monochloride cation | 2.057 | 1 | 2 |
HSiCl | Chlorosilylene | 2.154 | 1 | 2 |
SiH3Cl | chlorosilane | 2.122 | 1 | 2 |
SiCl2 | Dichlorosilylene | 2.156 | 1 | 2 |
2.156 | 1 | 3 | ||
SiH2Cl2 | dichlorosilane | 2.117 | 1 | 4 |
2.117 | 1 | 5 | ||
SiCl3+ | trichlorosilyl cation | 2.064 | 1 | 2 |
2.064 | 1 | 3 | ||
2.064 | 1 | 4 | ||
SiHCl3 | Trichlorosilane | 2.115 | 1 | 3 |
2.115 | 1 | 4 | ||
2.115 | 1 | 5 | ||
SiCl4 | Silane, tetrachloro- | 2.118 | 1 | 2 |
2.118 | 1 | 3 | ||
2.118 | 1 | 4 | ||
2.118 | 1 | 5 | ||
SiCl3CH3 | methyltrichlorosilane | 2.122 | 1 | 3 |
2.122 | 1 | 4 | ||
2.122 | 1 | 5 |