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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 | |
MP2/aug-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 |
|---|---|
| 1.256 | 0.105 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO+ | nitric oxide cation | 1.079 |
| Highest value | CNOH3 | 1,2-oxaziridine | 1.500 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO- | nitric oxide anion | 1.260 | 1 | 2 |
| NO | Nitric oxide | 1.135 | 1 | 2 |
| NO+ | nitric oxide cation | 1.079 | 1 | 2 |
| HNO | Nitrosyl hydride | 1.218 | 2 | 3 |
| HNO+ | Nitrosyl hydride cation | 1.097 | 2 | 3 |
| NOH | Hydroxyimidogen | 1.320 | 1 | 2 |
| NOH+ | O-protonated nitric oxide | 1.165 | 1 | 2 |
| H2NO | nitroxide | 1.257 | 1 | 2 |
| NH2OH | hydroxylamine | 1.437 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.282 | 1 | 2 |
| NH3O | Ammonia Oxide | 1.355 | 1 | 2 |
| NH3OH+ | N-protonated hydroxylamine | 1.394 | 1 | 2 |
| NH2OH2+ | protonated hydroxylamine | 1.462 | 1 | 2 |
| N2O- | Nitrous oxide anion | 1.286 | 2 | 3 |
| N2O | Nitrous oxide | 1.179 | 2 | 3 |
| NO2 | Nitrogen dioxide | 1.198 | 1 | 2 |
| 1.198 | 1 | 3 | ||
| NO2+ | Nitrogen dioxide cation | 1.135 | 1 | 2 |
| 1.135 | 1 | 3 | ||
| SNO | Nitrogen oxide sulfide | 1.209 | 1 | 3 |
| FNO | Nitrosyl fluoride | 1.128 | 2 | 3 |
| ClNO | Nitrosyl chloride | 1.134 | 2 | 3 |
| HCNO | fulminic acid | 1.194 | 1 | 2 |
| NH2NO | Nitrosamide | 1.221 | 1 | 2 |
| CH2NOH | formaldoxime | 1.396 | 2 | 3 |
| CH3NO | nitrosomethane | 1.216 | 2 | 3 |
| CNOH3 | 1,2-oxaziridine | 1.500 | 2 | 3 |
| NO3- | nitrate anion | 1.257 | 1 | 2 |
| 1.257 | 1 | 3 | ||
| 1.257 | 1 | 4 | ||
| HNO3 | Nitric acid | 1.400 | 1 | 2 |
| 1.210 | 1 | 3 | ||
| 1.199 | 1 | 4 | ||
| CH3NO2 | Methane, nitro- | 1.226 | 2 | 6 |
| 1.226 | 2 | 7 | ||
| C2H2N2O | Furazan | 1.358 | 1 | 2 |
| 1.358 | 1 | 3 | ||
| C3H3NO | Isoxazole | 1.378 | 4 | 5 |