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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 | |
ROMP2/3-21G
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| 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.328 | 0.113 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO3+ | nitrogen trioxide cation | 1.188 |
| Highest value | NH2OH2+ | protonated hydroxylamine | 1.540 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO | Nitric oxide | 1.228 | 1 | 2 |
| HNO | Nitrosyl hydride | 1.329 | 2 | 3 |
| HNO+ | Nitrosyl hydride cation | 1.198 | 2 | 3 |
| NOH | Hydroxyimidogen | 1.428 | 1 | 2 |
| NOH+ | O-protonated nitric oxide | 1.248 | 1 | 2 |
| H2NO | nitroxide | 1.339 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.338 | 1 | 2 |
| NH3OH+ | N-protonated hydroxylamine | 1.509 | 1 | 2 |
| NH2OH2+ | protonated hydroxylamine | 1.540 | 1 | 2 |
| N2O- | Nitrous oxide anion | 1.382 | 2 | 3 |
| NO2 | Nitrogen dioxide | 1.282 | 1 | 2 |
| 1.282 | 1 | 3 | ||
| NO2+ | Nitrogen dioxide cation | 1.200 | 1 | 2 |
| 1.200 | 1 | 3 | ||
| SNO | Nitrogen oxide sulfide | 1.259 | 1 | 3 |
| NO3+ | nitrogen trioxide cation | 1.188 | 1 | 2 |
| 1.477 | 1 | 3 | ||
| 1.477 | 1 | 4 |