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/cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.050 | 0.093 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3+ | trichlorosilyl cation | 1.960 |
Highest value | SiCl- | silicon monochloride anion | 2.278 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.278 | 1 | 2 |
SiCl | Clorosilylidyne | 2.088 | 1 | 2 |
SiCl+ | silicon monochloride cation | 1.968 | 1 | 2 |
HSiCl | Chlorosilylene | 2.099 | 1 | 2 |
SiH3Cl | chlorosilane | 2.071 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.057 | 1 | 4 |
2.057 | 1 | 5 | ||
SiCl3+ | trichlorosilyl cation | 1.960 | 1 | 2 |
1.960 | 1 | 3 | ||
1.960 | 1 | 4 |