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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 |
PBEPBE/STO-3G
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2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | 2.60 | 2.65 | 2.70 | 2.75 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.518 | 0.157 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaBr | Sodium Bromide | 2.313 |
Highest value | NaBr- | sodium bromide anion | 2.693 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaBr- | sodium bromide anion | 2.693 | 1 | 2 |
NaBr | Sodium Bromide | 2.313 | 1 | 2 |
NaBr+ | sodium bromide cation | 2.549 | 1 | 2 |