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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 | |
CCSD(T)/6-31G*
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| 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.486 | 0.063 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FO | Oxygen monofluoride | 1.379 |
| Highest value | FOO | Dioxygen monofluoride radical | 1.589 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO- | flourine oxide anion | 1.536 | 1 | 2 |
| FO | Oxygen monofluoride | 1.379 | 1 | 2 |
| HOF | Hypofluorous acid | 1.461 | 1 | 3 |
| F2O | Difluorine monoxide | 1.435 | 1 | 2 |
| 1.435 | 1 | 3 | ||
| FOO | Dioxygen monofluoride radical | 1.589 | 2 | 3 |
| FOO+ | Fluorine dioxide cation | 1.586 | 2 | 3 |
| ClOF | Chlorine hypofluorite | 1.466 | 2 | 3 |
| FOOF | Perfluoroperoxide | 1.541 | 3 | 4 |
| 1.541 | 1 | 2 | ||
| FONO | Nitrosyl hypofluorite | 1.452 | 1 | 2 |
| FNO3 | Fluorine nitrate | 1.437 | 2 | 5 |
| CF3OF | Trifluoromethylhypofluorite | 1.456 | 2 | 3 |