Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.40 | 1.40 | 1.41 | 1.41 | 1.41 | 1.41 | 1.41 | 1.42 | 1.42 | 1.42 | 1.42 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.411 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOF | Hypofluorous acid | 1.404 |
Highest value | FOO+ | Fluorine dioxide cation | 1.419 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HOF | Hypofluorous acid | 1.404 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.419 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.410 | 2 | 3 |