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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 | |
MP4=FULL/6-311+G(3df,2p)
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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 |
|---|---|
| 1.272 | 0.124 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO+ | nitric oxide cation | 1.084 |
| Highest value | NH2OH2+ | protonated hydroxylamine | 1.475 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO | Nitric oxide | 1.141 | 1 | 2 |
| NO+ | nitric oxide cation | 1.084 | 1 | 2 |
| HNO+ | Nitrosyl hydride cation | 1.101 | 2 | 3 |
| NH2OH | hydroxylamine | 1.440 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.288 | 1 | 2 |
| NH3OH+ | N-protonated hydroxylamine | 1.398 | 1 | 2 |
| NH2OH2+ | protonated hydroxylamine | 1.475 | 1 | 2 |
| N2O | Nitrous oxide | 1.189 | 2 | 3 |
| SNO | Nitrogen oxide sulfide | 1.217 | 1 | 3 |
| CH3NO2 | Methane, nitro- | 1.231 | 2 | 6 |
| 1.231 | 2 | 7 | ||
| C2H2N2O | Furazan | 1.373 | 1 | 2 |
| 1.373 | 1 | 3 |