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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 | |
LSDA/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 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.201 | 0.118 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO+ | nitric oxide cation | 1.061 |
| Highest value | NH2OH | hydroxylamine | 1.415 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO | Nitric oxide | 1.145 | 1 | 2 |
| NO+ | nitric oxide cation | 1.061 | 1 | 2 |
| NH2OH | hydroxylamine | 1.415 | 1 | 2 |
| N2O | Nitrous oxide | 1.174 | 2 | 3 |
| C6H5NO | nitrosobenzene | 1.210 | 7 | 8 |