Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/6-311+G(3df,2p)
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.40 | 1.41 | 1.41 | 1.42 | 1.42 | 1.43 | 1.43 | 1.44 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.417 | 0.010 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOF | Hypofluorous acid | 1.406 |
Highest value | FOO+ | Fluorine dioxide cation | 1.431 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HOF | Hypofluorous acid | 1.406 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.431 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.414 | 2 | 3 |