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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 | |
QCISD(T)/Def2TZVPP
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| 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 |
|---|---|
| 1.507 | 0.067 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HOF | Hypofluorous acid | 1.440 |
| Highest value | FOO+ | Fluorine dioxide cation | 1.573 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| HOF | Hypofluorous acid | 1.440 | 1 | 3 |
| FOO+ | Fluorine dioxide cation | 1.573 | 2 | 3 |