Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B3LYP/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.45 | 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 |
---|---|
2.656 | 0.142 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaBr | Sodium Bromide | 2.492 |
Highest value | NaBr+ | sodium bromide cation | 2.838 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaBr- | sodium bromide anion | 2.638 | 1 | 2 |
NaBr | Sodium Bromide | 2.492 | 1 | 2 |
NaBr+ | sodium bromide cation | 2.838 | 1 | 2 |