Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBE/aug-cc-pCVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.44 | 1.45 | 1.45 | 1.46 | 1.46 | 1.47 | 1.47 | 1.48 | 1.48 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.461 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOF | Hypofluorous acid | 1.445 |
Highest value | ClOF | Chlorine hypofluorite | 1.476 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HOF | Hypofluorous acid | 1.445 | 1 | 3 |
ClOF | Chlorine hypofluorite | 1.476 | 2 | 3 |