Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.03 | 2.04 | 2.05 | 2.06 | 2.07 | 2.08 | 2.09 | 2.10 | 2.11 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.057 | 0.024 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl4 | Silane, tetrachloro- | 2.034 |
Highest value | HSiCl | Chlorosilylene | 2.094 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.083 | 1 | 2 |
HSiCl | Chlorosilylene | 2.094 | 1 | 2 |
SiH3Cl | chlorosilane | 2.067 | 1 | 2 |
SiCl2 | Dichlorosilylene | 2.094 | 1 | 2 |
2.094 | 1 | 3 | ||
SiH2Cl2 | dichlorosilane | 2.052 | 1 | 4 |
2.052 | 1 | 5 | ||
SiHCl3 | Trichlorosilane | 2.042 | 1 | 3 |
2.042 | 1 | 4 | ||
2.042 | 1 | 5 | ||
SiCl4 | Silane, tetrachloro- | 2.034 | 1 | 2 |
2.034 | 1 | 3 | ||
2.034 | 1 | 4 | ||
2.034 | 1 | 5 |