Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBEultrafine/daug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.10 | 2.10 | 2.11 | 2.11 | 2.12 | 2.12 | 2.13 | 2.13 | 2.14 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.121 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH3Cl | chlorosilane | 2.105 |
Highest value | HSiCl | Chlorosilylene | 2.134 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.124 | 1 | 2 |
HSiCl | Chlorosilylene | 2.134 | 1 | 2 |
SiH3Cl | chlorosilane | 2.105 | 1 | 2 |