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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
MP2/Def2TZVPP
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| 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.776 | 0.103 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BrF+ | bromine fluoride cation | 1.617 |
| Highest value | BrF- | bromine fluoride anion | 2.059 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrF- | bromine fluoride anion | 2.059 | 1 | 2 |
| BrF | Bromine monofluoride | 1.759 | 1 | 2 |
| BrF+ | bromine fluoride cation | 1.617 | 1 | 2 |
| BrF3 | Bromine trifluoride | 1.722 | 1 | 2 |
| 1.809 | 1 | 3 | ||
| 1.809 | 1 | 4 | ||
| BrF5 | bromine pentafluoride | 1.706 | 1 | 2 |
| 1.763 | 1 | 3 | ||
| 1.763 | 1 | 4 | ||
| 1.763 | 1 | 5 | ||
| 1.763 | 1 | 6 |