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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 | |
B1B95/CEP-31G
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| 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.442 | 0.021 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FO | Oxygen monofluoride | 1.402 |
| Highest value | HOF | Hypofluorous acid | 1.466 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO | Oxygen monofluoride | 1.402 | 1 | 2 |
| HOF | Hypofluorous acid | 1.466 | 1 | 3 |
| F2O | Difluorine monoxide | 1.449 | 1 | 2 |
| 1.449 | 1 | 3 | ||
| FNO3 | Fluorine nitrate | 1.446 | 2 | 5 |