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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(T)/6-31+G**
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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 | 1.60 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.252 | 0.108 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO+ | nitric oxide cation | 1.088 |
| Highest value | NH2OH2+ | protonated hydroxylamine | 1.502 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO | Nitric oxide | 1.168 | 1 | 2 |
| NO+ | nitric oxide cation | 1.088 | 1 | 2 |
| HNO | Nitrosyl hydride | 1.230 | 2 | 3 |
| HNO+ | Nitrosyl hydride cation | 1.146 | 2 | 3 |
| NH2OH | hydroxylamine | 1.459 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.311 | 1 | 2 |
| NH3OH+ | N-protonated hydroxylamine | 1.419 | 1 | 2 |
| NH2OH2+ | protonated hydroxylamine | 1.502 | 1 | 2 |
| N2O | Nitrous oxide | 1.208 | 2 | 3 |
| NO2+ | Nitrogen dioxide cation | 1.143 | 1 | 2 |
| 1.143 | 1 | 3 | ||
| SNO | Nitrogen oxide sulfide | 1.213 | 1 | 3 |
| FNO | Nitrosyl fluoride | 1.154 | 2 | 3 |
| ClNO | Nitrosyl chloride | 1.161 | 2 | 3 |
| HCNO | fulminic acid | 1.227 | 1 | 2 |
| FNO2 | Nitryl fluoride | 1.197 | 1 | 3 |
| 1.197 | 1 | 4 | ||
| FONO | Nitrosyl hypofluorite | 1.178 | 3 | 4 |
| 1.464 | 2 | 3 | ||
| HNO3 | Nitric acid | 1.418 | 1 | 2 |
| 1.228 | 1 | 3 | ||
| 1.213 | 1 | 4 | ||
| CH3NO2 | Methane, nitro- | 1.240 | 2 | 6 |
| 1.240 | 2 | 7 | ||
| C2H2N2O | Furazan | 1.388 | 1 | 2 |
| 1.388 | 1 | 3 | ||
| N2O4 | Dinitrogen tetroxide | 1.209 | 1 | 3 |
| 1.209 | 1 | 4 | ||
| 1.209 | 2 | 5 | ||
| 1.209 | 2 | 6 | ||
| C6H5NO | nitrosobenzene | 1.237 | 7 | 8 |