Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/6-31G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.50 | 2.52 | 2.54 | 2.56 | 2.58 | 2.60 | 2.62 | 2.64 | 2.66 | 2.68 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.578 | 0.064 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaBr | Sodium Bromide | 2.514 |
Highest value | NaBr- | sodium bromide anion | 2.642 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaBr- | sodium bromide anion | 2.642 | 1 | 2 |
NaBr | Sodium Bromide | 2.514 | 1 | 2 |