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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 | |
CCD/3-21G*
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| 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | 1.81 | 1.82 | 1.83 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.774 | 0.027 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BrF+ | bromine fluoride cation | 1.725 |
| Highest value | BrF3 | Bromine trifluoride | 1.812 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrF | Bromine monofluoride | 1.803 | 1 | 2 |
| BrF+ | bromine fluoride cation | 1.725 | 1 | 2 |
| BrF3 | Bromine trifluoride | 1.769 | 1 | 2 |
| 1.812 | 1 | 3 | ||
| 1.812 | 1 | 4 | ||
| BrF5 | bromine pentafluoride | 1.744 | 1 | 2 |
| 1.768 | 1 | 3 | ||
| 1.768 | 1 | 4 | ||
| 1.768 | 1 | 5 | ||
| 1.768 | 1 | 6 |