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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 | |
M06-2X/TZVP
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| 1.33 | 1.34 | 1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.397 | 0.027 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FO | Oxygen monofluoride | 1.332 |
| Highest value | FOOF | Perfluoroperoxide | 1.424 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO | Oxygen monofluoride | 1.332 | 1 | 2 |
| HOF | Hypofluorous acid | 1.403 | 1 | 3 |
| FOO+ | Fluorine dioxide cation | 1.403 | 2 | 3 |
| ClOF | Chlorine hypofluorite | 1.402 | 2 | 3 |
| FOOF | Perfluoroperoxide | 1.424 | 3 | 4 |
| 1.424 | 1 | 2 | ||
| FONO | Nitrosyl hypofluorite | 1.395 | 1 | 2 |
| CF3OF | Trifluoromethylhypofluorite | 1.394 | 2 | 3 |