Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/6-31G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.43 | 1.44 | 1.44 | 1.45 | 1.45 | 1.46 | 1.46 | 1.47 | 1.47 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.453 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOF | Hypofluorous acid | 1.439 |
Highest value | FOO+ | Fluorine dioxide cation | 1.468 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HOF | Hypofluorous acid | 1.439 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.468 | 2 | 3 |