Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
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 |
---|---|
1.806 | 0.090 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrF+ | bromine fluoride cation | 1.684 |
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 | 1.787 | 1 | 2 |
BrF+ | bromine fluoride cation | 1.684 | 1 | 2 |
BrF3 | Bromine trifluoride | 1.753 | 1 | 2 |
1.834 | 1 | 3 | ||
1.834 | 1 | 4 | ||
BrF5 | bromine pentafluoride | 1.740 | 1 | 2 |
1.795 | 1 | 3 | ||
1.795 | 1 | 4 | ||
1.795 | 1 | 5 | ||
1.795 | 1 | 6 |