Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/aug-cc-pCVTZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.41 | 1.41 | 1.41 | 1.41 | 1.41 | 1.41 | 1.41 | 1.41 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.409 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClOF | Chlorine hypofluorite | 1.408 |
Highest value | HOF | Hypofluorous acid | 1.409 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HOF | Hypofluorous acid | 1.409 | 1 | 3 |
ClOF | Chlorine hypofluorite | 1.408 | 2 | 3 |