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/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.17 | 2.18 | 2.19 | 2.20 | 2.21 | 2.22 | 2.23 | 2.24 | 2.25 | 2.26 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.202 | 0.030 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH2Cl2 | dichlorosilane | 2.171 |
Highest value | HSiCl | Chlorosilylene | 2.242 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.232 | 1 | 2 |
HSiCl | Chlorosilylene | 2.242 | 1 | 2 |
SiH3Cl | chlorosilane | 2.194 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.171 | 1 | 4 |
2.171 | 1 | 5 |