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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 | |
MP2/6-31+G**
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| 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 |
|---|---|
| 1.493 | 0.093 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FOO | Dioxygen monofluoride radical | 1.385 |
| Highest value | FOOF | Perfluoroperoxide | 1.698 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO- | flourine oxide anion | 1.505 | 1 | 2 |
| FO | Oxygen monofluoride | 1.510 | 1 | 2 |
| HOF | Hypofluorous acid | 1.453 | 1 | 3 |
| F2O | Difluorine monoxide | 1.431 | 1 | 2 |
| 1.431 | 1 | 3 | ||
| FOO | Dioxygen monofluoride radical | 1.385 | 2 | 3 |
| FOO+ | Fluorine dioxide cation | 1.488 | 2 | 3 |
| ClOF | Chlorine hypofluorite | 1.468 | 2 | 3 |
| FOOF | Perfluoroperoxide | 1.698 | 3 | 4 |
| 1.698 | 1 | 2 | ||
| FONO | Nitrosyl hypofluorite | 1.446 | 1 | 2 |
| FNO3 | Fluorine nitrate | 1.441 | 2 | 5 |
| CF3OF | Trifluoromethylhypofluorite | 1.449 | 2 | 3 |