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 |
CCD/6-31G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.669 | 0.482 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HBr | hydrogen bromide | 1.409 |
Highest value | HBr- | hydrogen bromide anion | 2.633 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HBr- | hydrogen bromide anion | 2.633 | 1 | 2 |
HBr | hydrogen bromide | 1.409 | 1 | 2 |
HBr+ | hydrogen bromide cation | 1.440 | 1 | 2 |
H2Br+ | protonated hydrogen bromide | 1.432 | 1 | 2 |
1.432 | 1 | 3 |