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/CEP-31G*
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.220 | 0.087 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Si2- | silcon diatomic anion | 2.125 |
Highest value | Si2H6 | disilane | 2.374 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Si2- | silcon diatomic anion | 2.125 | 1 | 2 |
Si2 | Silicon diatomic | 2.238 | 1 | 2 |
Si2H2 | disilyne | 2.208 | 1 | 2 |
Si2H4 | Disilene | 2.152 | 1 | 2 |
Si2H6 | disilane | 2.374 | 1 | 2 |