Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/6-31G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.15 | 2.16 | 2.17 | 2.18 | 2.19 | 2.20 | 2.21 | 2.22 | 2.23 | 2.24 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.180 | 0.027 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3CH3 | methyltrichlorosilane | 2.158 |
Highest value | HSiCl | Chlorosilylene | 2.228 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.222 | 1 | 2 |
HSiCl | Chlorosilylene | 2.228 | 1 | 2 |
SiH3Cl | chlorosilane | 2.185 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.166 | 1 | 4 |
2.166 | 1 | 5 | ||
SiCl3CH3 | methyltrichlorosilane | 2.158 | 1 | 3 |
2.158 | 1 | 4 | ||
2.158 | 1 | 5 |