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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 | |
wB97X-D/6-31G
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| 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.063 | 0.091 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | Na2O | disodium monoxide | 1.972 |
| Highest value | NaO2 | Sodium superoxide | 2.155 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| Na2O | disodium monoxide | 1.972 | 1 | 2 |
| 1.972 | 1 | 3 | ||
| NaO2 | Sodium superoxide | 2.155 | 1 | 2 |
| 2.155 | 1 | 3 |