Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.50 | 2.55 | 2.60 | 2.65 | 2.70 | 2.75 | 2.80 | 2.85 | 2.90 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.667 | 0.141 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaBr | Sodium Bromide | 2.504 |
Highest value | NaBr+ | sodium bromide cation | 2.848 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaBr- | sodium bromide anion | 2.650 | 1 | 2 |
NaBr | Sodium Bromide | 2.504 | 1 | 2 |
NaBr+ | sodium bromide cation | 2.848 | 1 | 2 |