Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/6-31+G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | 2.60 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.379 | 0.133 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiBr | Lithium Bromide | 2.211 |
Highest value | LiBr+ | lithium bromide cation | 2.536 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiBr- | lithium bromide anion | 2.391 | 1 | 2 |
LiBr | Lithium Bromide | 2.211 | 1 | 2 |
LiBr+ | lithium bromide cation | 2.536 | 1 | 2 |