Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-31G*
7 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.842 | 0.351 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrF+ | bromine fluoride cation | 1.668 |
Highest value | BrF- | bromine fluoride anion | 2.947 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrF- | bromine fluoride anion | 2.947 | 1 | 2 |
BrF | Bromine monofluoride | 1.737 | 1 | 2 |
BrF+ | bromine fluoride cation | 1.668 | 1 | 2 |
BrF3 | Bromine trifluoride | 1.697 | 1 | 2 |
1.786 | 1 | 3 | ||
1.786 | 1 | 4 | ||
BrF5 | bromine pentafluoride | 1.683 | 1 | 2 |
1.738 | 1 | 3 | ||
1.738 | 1 | 4 | ||
1.738 | 1 | 5 | ||
1.738 | 1 | 6 |