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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 | |
CCSD=FULL/cc-pVQZ
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| 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.235 | 0.111 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO+ | nitric oxide cation | 1.055 |
| Highest value | CNOH3 | 1,2-oxaziridine | 1.477 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO- | nitric oxide anion | 1.259 | 1 | 2 |
| NO | Nitric oxide | 1.141 | 1 | 2 |
| NO+ | nitric oxide cation | 1.055 | 1 | 2 |
| HNO | Nitrosyl hydride | 1.197 | 2 | 3 |
| HNO+ | Nitrosyl hydride cation | 1.117 | 2 | 3 |
| NOH | Hydroxyimidogen | 1.319 | 1 | 2 |
| NOH+ | O-protonated nitric oxide | 1.169 | 1 | 2 |
| NH2OH | hydroxylamine | 1.426 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.286 | 1 | 2 |
| NH3O | Ammonia Oxide | 1.360 | 1 | 2 |
| NH3OH+ | N-protonated hydroxylamine | 1.389 | 1 | 2 |
| NH2OH2+ | protonated hydroxylamine | 1.461 | 1 | 2 |
| N2O- | Nitrous oxide anion | 1.303 | 2 | 3 |
| N2O | Nitrous oxide | 1.179 | 2 | 3 |
| NO2 | Nitrogen dioxide | 1.181 | 1 | 2 |
| 1.181 | 1 | 3 | ||
| NO2+ | Nitrogen dioxide cation | 1.107 | 1 | 2 |
| 1.107 | 1 | 3 | ||
| SNO | Nitrogen oxide sulfide | 1.174 | 1 | 3 |
| FNO | Nitrosyl fluoride | 1.129 | 2 | 3 |
| ClNO | Nitrosyl chloride | 1.129 | 2 | 3 |
| HCNO | fulminic acid | 1.197 | 1 | 2 |
| CNOH3 | 1,2-oxaziridine | 1.477 | 2 | 3 |
| NO3- | nitrate anion | 1.242 | 1 | 2 |
| 1.242 | 1 | 3 | ||
| 1.242 | 1 | 4 | ||
| HNO3 | Nitric acid | 1.375 | 1 | 2 |
| 1.199 | 1 | 3 | ||
| 1.184 | 1 | 4 |