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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 | |
B3LYP/aug-cc-pVQZ
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| 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.436 | 0.050 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FO | Oxygen monofluoride | 1.348 |
| Highest value | FO- | flourine oxide anion | 1.513 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO- | flourine oxide anion | 1.513 | 1 | 2 |
| FO | Oxygen monofluoride | 1.348 | 1 | 2 |
| HOF | Hypofluorous acid | 1.428 | 1 | 3 |
| FOO+ | Fluorine dioxide cation | 1.463 | 2 | 3 |
| ClOF | Chlorine hypofluorite | 1.439 | 2 | 3 |
| CF3OF | Trifluoromethylhypofluorite | 1.421 | 2 | 3 |