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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/STO-3G
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| 1.20 | 1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.436 | 0.412 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO | Nitric oxide | 1.248 |
| Highest value | NO3+ | nitrogen trioxide cation | 3.102 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO | Nitric oxide | 1.248 | 1 | 2 |
| HNO | Nitrosyl hydride | 1.322 | 2 | 3 |
| NOH | Hydroxyimidogen | 1.402 | 1 | 2 |
| NOH+ | O-protonated nitric oxide | 1.298 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.346 | 1 | 2 |
| NH3OH+ | N-protonated hydroxylamine | 1.486 | 1 | 2 |
| NH2OH2+ | protonated hydroxylamine | 1.530 | 1 | 2 |
| N2O- | Nitrous oxide anion | 1.351 | 2 | 3 |
| NO2 | Nitrogen dioxide | 1.308 | 1 | 2 |
| 1.308 | 1 | 3 | ||
| NO2+ | Nitrogen dioxide cation | 1.267 | 1 | 2 |
| 1.267 | 1 | 3 | ||
| SNO | Nitrogen oxide sulfide | 1.304 | 1 | 3 |
| NO3+ | nitrogen trioxide cation | 3.102 | 1 | 2 |
| 1.266 | 1 | 3 | ||
| 1.266 | 1 | 4 | ||
| ClONO | chlorine nitrite | 1.286 | 3 | 4 |
| 1.491 | 2 | 3 |