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 |
B1B95/3-21G*
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.799 | 0.077 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrO+ | Bromine monoxide cation | 1.682 |
Highest value | BrO- | Bromine monoxide anion | 1.885 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrO- | Bromine monoxide anion | 1.885 | 1 | 2 |
BrO | Bromine monoxide | 1.776 | 1 | 2 |
BrO+ | Bromine monoxide cation | 1.682 | 1 | 2 |
HOBr | Hypobromous acid | 1.856 | 2 | 3 |
HOBr+ | Hypobromous acid cation | 1.756 | 2 | 3 |
BrOCl | Bromine hypochlorite | 1.866 | 1 | 2 |
OBrO | Bromine dioxide radical | 1.682 | 1 | 2 |
1.682 | 1 | 3 | ||
BrOBr | Bromine oxide | 1.865 | 1 | 2 |
1.865 | 1 | 3 | ||
BrONO | Bromine nitrite | 1.840 | 1 | 2 |
BrONO2 | Bromine nitrate | 1.836 | 1 | 2 |