Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B2PLYP=FULL/STO-3G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.09 | 2.09 | 2.10 | 2.10 | 2.11 | 2.11 | 2.12 | 2.12 | 2.13 | 2.13 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.110 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH2Cl2 | dichlorosilane | 2.094 |
Highest value | HSiCl | Chlorosilylene | 2.130 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.129 | 1 | 2 |
HSiCl | Chlorosilylene | 2.130 | 1 | 2 |
SiH3Cl | chlorosilane | 2.101 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.094 | 1 | 4 |
2.094 | 1 | 5 |