Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/6-311+G(3df,2p)
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.05 | 2.06 | 2.06 | 2.07 | 2.07 | 2.08 | 2.08 | 2.09 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.071 | 0.010 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH3Cl | chlorosilane | 2.058 |
Highest value | HSiCl | Chlorosilylene | 2.083 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.071 | 1 | 2 |
HSiCl | Chlorosilylene | 2.083 | 1 | 2 |
SiH3Cl | chlorosilane | 2.058 | 1 | 2 |