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/Def2TZVPP
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.15 | 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 |
---|---|
2.364 | 0.139 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiBr | Lithium Bromide | 2.178 |
Highest value | LiBr+ | lithium bromide cation | 2.512 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiBr- | lithium bromide anion | 2.404 | 1 | 2 |
LiBr | Lithium Bromide | 2.178 | 1 | 2 |
LiBr+ | lithium bromide cation | 2.512 | 1 | 2 |