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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
CID/cc-pVTZ
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| 2.09 | 2.10 | 2.11 | 2.12 | 2.13 | 2.14 | 2.15 | 2.16 | 2.17 | 2.18 | 2.19 | 2.20 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.129 | 0.042 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | Na2O2 | disodium dioxide | 2.099 |
| Highest value | NaO2 | Sodium superoxide | 2.188 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NaO2 | Sodium superoxide | 2.188 | 1 | 2 |
| 2.188 | 1 | 3 | ||
| Na2O2 | disodium dioxide | 2.099 | 1 | 3 |
| 2.099 | 1 | 4 | ||
| 2.099 | 2 | 3 | ||
| 2.099 | 2 | 4 |