Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/aug-cc-pVDZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.07 | 2.08 | 2.08 | 2.09 | 2.09 | 2.10 | 2.10 | 2.11 | 2.11 | 2.12 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.093 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH2Cl2 | dichlorosilane | 2.076 |
Highest value | HSiCl | Chlorosilylene | 2.115 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.105 | 1 | 2 |
HSiCl | Chlorosilylene | 2.115 | 1 | 2 |
SiH3Cl | chlorosilane | 2.092 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.076 | 1 | 4 |
2.076 | 1 | 5 |