Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.31 | 1.32 | 1.33 | 1.34 | 1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.359 | 0.026 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeF+ | Beryllium monofluoride cation | 1.317 |
Highest value | BeF- | Beryllium monofluoride anion | 1.399 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeF- | Beryllium monofluoride anion | 1.399 | 1 | 2 |
BeF | Beryllium monofluoride | 1.355 | 1 | 2 |
BeF+ | Beryllium monofluoride cation | 1.317 | 1 | 2 |
BeF2 | Beryllium fluoride | 1.362 | 1 | 2 |
1.362 | 1 | 3 |