Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/CEP-31G
6 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
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3 | ||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.921 | 0.079 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrF+ | bromine fluoride cation | 1.699 |
Highest value | BrF3 | Bromine trifluoride | 1.970 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrF | Bromine monofluoride | 1.902 | 1 | 2 |
BrF+ | bromine fluoride cation | 1.699 | 1 | 2 |
BrF3 | Bromine trifluoride | 1.895 | 1 | 2 |
1.970 | 1 | 3 | ||
1.970 | 1 | 4 | ||
BrF5 | bromine pentafluoride | 1.922 | 1 | 2 |
1.963 | 1 | 3 | ||
1.963 | 1 | 4 | ||
1.963 | 1 | 5 | ||
1.963 | 1 | 6 |