Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/cc-pVTZ
5 | ||||||||||||||||||||||
4 | ||||||||||||||||||||||
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1 | ||||||||||||||||||||||
0 | ||||||||||||||||||||||
2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | ||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.195 | 0.084 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Si2- | silcon diatomic anion | 2.101 |
Highest value | Si2H6 | disilane | 2.346 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Si2- | silcon diatomic anion | 2.101 | 1 | 2 |
Si2 | Silicon diatomic | 2.157 | 1 | 2 |
Si2H2 | disilyne | 2.214 | 1 | 2 |
Si2H4 | Disilene | 2.155 | 1 | 2 |
Si2H6 | disilane | 2.346 | 1 | 2 |