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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/Def2TZVPP
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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 |
|---|---|
| 1.220 | 0.112 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO+ | nitric oxide cation | 1.087 |
| Highest value | NH2OH | hydroxylamine | 1.451 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO | Nitric oxide | 1.141 | 1 | 2 |
| NO+ | nitric oxide cation | 1.087 | 1 | 2 |
| NH2OH | hydroxylamine | 1.451 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.293 | 1 | 2 |
| N2O | Nitrous oxide | 1.192 | 2 | 3 |
| SNO | Nitrogen oxide sulfide | 1.221 | 1 | 3 |
| INO | Nitrosyl iodide | 1.157 | 1 | 2 |