Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)/6-31G*
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1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.053 | 0.077 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3+ | trichlorosilyl cation | 1.963 |
Highest value | SiCl- | silicon monochloride anion | 2.279 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.279 | 1 | 2 |
SiCl | Clorosilylidyne | 2.083 | 1 | 2 |
SiCl+ | silicon monochloride cation | 1.963 | 1 | 2 |
HSiCl | Chlorosilylene | 2.090 | 1 | 2 |
SiH3Cl | chlorosilane | 2.067 | 1 | 2 |
SiCl2 | Dichlorosilylene | 2.084 | 1 | 2 |
2.084 | 1 | 3 | ||
SiH2Cl2 | dichlorosilane | 2.053 | 1 | 4 |
2.053 | 1 | 5 | ||
SiCl3+ | trichlorosilyl cation | 1.963 | 1 | 2 |
1.963 | 1 | 3 | ||
1.963 | 1 | 4 | ||
SiCl3CH3 | methyltrichlorosilane | 2.051 | 1 | 3 |
2.051 | 1 | 4 | ||
2.051 | 1 | 5 |