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 |
ROHF/6-311G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.00 | 1.50 | 2.00 | 2.50 | 3.00 | 3.50 | 4.00 | 4.50 | 5.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.337 | 1.285 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HBr | hydrogen bromide | 1.416 |
Highest value | HBr- | hydrogen bromide anion | 4.154 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HBr- | hydrogen bromide anion | 4.154 | 1 | 2 |
HBr | hydrogen bromide | 1.416 | 1 | 2 |
HBr+ | hydrogen bromide cation | 1.441 | 1 | 2 |