Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-311G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.315 | 0.326 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrCl+ | bromine chloride cation | 2.005 |
Highest value | BrCl- | bromine chloride anion | 2.766 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrCl- | bromine chloride anion | 2.766 | 1 | 2 |
BrCl | Bromine monochloride | 2.174 | 1 | 2 |
BrCl+ | bromine chloride cation | 2.005 | 1 | 2 |