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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 | |
HF/6-31+G**
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| 1.20 | 1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | 3.60 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.549 | 0.557 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FO | Oxygen monofluoride | 1.329 |
| Highest value | FOO | Dioxygen monofluoride radical | 3.307 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO- | flourine oxide anion | 1.497 | 1 | 2 |
| FO | Oxygen monofluoride | 1.329 | 1 | 2 |
| HOF | Hypofluorous acid | 1.377 | 1 | 3 |
| FOO | Dioxygen monofluoride radical | 3.307 | 2 | 3 |
| FOO+ | Fluorine dioxide cation | 1.347 | 2 | 3 |
| ClOF | Chlorine hypofluorite | 1.370 | 2 | 3 |
| FOOF | Perfluoroperoxide | 1.369 | 3 | 4 |
| 1.369 | 1 | 2 | ||
| FONO | Nitrosyl hypofluorite | 1.365 | 1 | 2 |
| FNO3 | Fluorine nitrate | 1.350 | 2 | 5 |
| CF3OF | Trifluoromethylhypofluorite | 1.366 | 2 | 3 |