Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/TZVP
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.181 | 0.090 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Si2- | silcon diatomic anion | 2.097 |
Highest value | Si2H6 | disilane | 2.372 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Si2- | silcon diatomic anion | 2.097 | 1 | 2 |
Si2 | Silicon diatomic | 2.146 | 1 | 2 |
Si2+ | silcon diatomic cation | 2.149 | 1 | 2 |
Si2H2 | disilyne | 2.192 | 1 | 2 |
Si2H4 | Disilene | 2.129 | 1 | 2 |
Si2H6 | disilane | 2.372 | 1 | 2 |