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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/CEP-31G*
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| 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.468 | 0.033 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | F2O | Difluorine monoxide | 1.431 |
| Highest value | FOOF | Perfluoroperoxide | 1.517 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO- | flourine oxide anion | 1.510 | 1 | 2 |
| FO | Oxygen monofluoride | 1.508 | 1 | 2 |
| HOF | Hypofluorous acid | 1.453 | 1 | 3 |
| F2O | Difluorine monoxide | 1.431 | 1 | 2 |
| 1.431 | 1 | 3 | ||
| FOO+ | Fluorine dioxide cation | 1.450 | 2 | 3 |
| ClOF | Chlorine hypofluorite | 1.463 | 2 | 3 |
| FOOF | Perfluoroperoxide | 1.517 | 3 | 4 |
| 1.517 | 1 | 2 | ||
| FONO | Nitrosyl hypofluorite | 1.447 | 1 | 2 |
| FNO3 | Fluorine nitrate | 1.439 | 2 | 5 |
| CF3OF | Trifluoromethylhypofluorite | 1.448 | 2 | 3 |