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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 | |
MP2/CEP-31G
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| 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.151 | 0.101 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NaO- | sodium oxide anion | 1.984 |
| Highest value | NaO2 | Sodium superoxide | 2.273 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NaO- | sodium oxide anion | 1.984 | 1 | 2 |
| NaO | sodium monoxide | 2.163 | 1 | 2 |
| NaOH | sodium hydroxide | 1.989 | 1 | 2 |
| Na2O | disodium monoxide | 2.058 | 1 | 2 |
| 2.058 | 1 | 3 | ||
| NaO2 | Sodium superoxide | 2.273 | 1 | 2 |
| 2.273 | 1 | 3 | ||
| NaOCH3 | Sodium methoxide | 2.009 | 1 | 2 |
| Na2O2 | disodium dioxide | 2.151 | 1 | 3 |
| 2.151 | 1 | 4 | ||
| 2.151 | 2 | 3 | ||
| 2.151 | 2 | 4 | ||
| Na2CO3 | Sodium Carbonate | 2.249 | 2 | 5 |
| 2.249 | 2 | 6 | ||
| 2.256 | 3 | 5 | ||
| 2.256 | 4 | 6 |