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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 | |
B97D3/6-31G*
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| 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.444 | 0.101 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FO+ | fluorine monoxide cation | 1.244 |
| Highest value | FONO | Nitrosyl hypofluorite | 1.660 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO- | flourine oxide anion | 1.379 | 1 | 2 |
| FO | Oxygen monofluoride | 1.354 | 1 | 2 |
| FO+ | fluorine monoxide cation | 1.244 | 1 | 2 |
| HOF | Hypofluorous acid | 1.448 | 1 | 3 |
| F2O | Difluorine monoxide | 1.406 | 1 | 2 |
| 1.406 | 1 | 3 | ||
| FOO | Dioxygen monofluoride radical | 1.622 | 2 | 3 |
| FOO+ | Fluorine dioxide cation | 1.523 | 2 | 3 |
| ClOF | Chlorine hypofluorite | 1.453 | 2 | 3 |
| FOOF | Perfluoroperoxide | 1.445 | 3 | 4 |
| 1.445 | 1 | 2 | ||
| FONO | Nitrosyl hypofluorite | 1.660 | 1 | 2 |
| FNO3 | Fluorine nitrate | 1.420 | 2 | 5 |
| CF3OF | Trifluoromethylhypofluorite | 1.406 | 2 | 3 |