Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYPultrafine/Def2TZVPP
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.06 | 2.07 | 2.07 | 2.08 | 2.08 | 2.09 | 2.09 | 2.10 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.081 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH3Cl | chlorosilane | 2.066 |
Highest value | HSiCl | Chlorosilylene | 2.094 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.084 | 1 | 2 |
HSiCl | Chlorosilylene | 2.094 | 1 | 2 |
SiH3Cl | chlorosilane | 2.066 | 1 | 2 |