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 |
BLYP/6-311G*
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | 3.00 | 3.10 | 3.20 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.576 | 0.360 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Br2+ | bromine diatomic cation | 2.278 |
Highest value | Br2- | bromine diatomic anion | 3.082 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Br2- | bromine diatomic anion | 3.082 | 1 | 2 |
Br2 | Bromine diatomic | 2.369 | 1 | 2 |
Br2+ | bromine diatomic cation | 2.278 | 1 | 2 |