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/LANL2DZ
6 | |||||||||||||||||||||||||
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.909 | 0.070 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrF+ | bromine fluoride cation | 1.711 |
Highest value | BrF3 | Bromine trifluoride | 1.964 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrF | Bromine monofluoride | 1.905 | 1 | 2 |
BrF+ | bromine fluoride cation | 1.711 | 1 | 2 |
BrF3 | Bromine trifluoride | 1.888 | 1 | 2 |
1.964 | 1 | 3 | ||
1.964 | 1 | 4 | ||
BrF5 | bromine pentafluoride | 1.903 | 1 | 2 |
1.939 | 1 | 3 | ||
1.939 | 1 | 4 | ||
1.939 | 1 | 5 | ||
1.939 | 1 | 6 |