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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 | |
ROMP2/aug-cc-pVQZ
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| 1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.169 | 0.059 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HNO+ | Nitrosyl hydride cation | 1.132 |
| Highest value | N2O- | Nitrous oxide anion | 1.286 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO | Nitric oxide | 1.156 | 1 | 2 |
| HNO+ | Nitrosyl hydride cation | 1.132 | 2 | 3 |
| N2O- | Nitrous oxide anion | 1.286 | 2 | 3 |
| NO2+ | Nitrogen dioxide cation | 1.135 | 1 | 2 |
| 1.135 | 1 | 3 |