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/3-21G*
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
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 |
---|---|
1.800 | 0.086 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrF+ | bromine fluoride cation | 1.706 |
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 | 1.786 | 1 | 2 |
BrF+ | bromine fluoride cation | 1.706 | 1 | 2 |
BrF3 | Bromine trifluoride | 1.771 | 1 | 2 |
1.812 | 1 | 3 | ||
1.812 | 1 | 4 | ||
BrF5 | bromine pentafluoride | 1.752 | 1 | 2 |
1.776 | 1 | 3 | ||
1.776 | 1 | 4 | ||
1.776 | 1 | 5 | ||
1.776 | 1 | 6 |