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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 | |
MP2/CEP-121G
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| 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.892 | 0.105 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BrO+ | Bromine monoxide cation | 1.668 |
| Highest value | BrOBr | Bromine oxide | 1.996 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrO- | Bromine monoxide anion | 1.964 | 1 | 2 |
| BrO | Bromine monoxide | 1.798 | 1 | 2 |
| BrO+ | Bromine monoxide cation | 1.668 | 1 | 2 |
| HOBr | Hypobromous acid | 1.959 | 2 | 3 |
| HOBr+ | Hypobromous acid cation | 1.829 | 2 | 3 |
| BrOCl | Bromine hypochlorite | 1.992 | 1 | 2 |
| OBrO | Bromine dioxide radical | 1.796 | 1 | 2 |
| 1.796 | 1 | 3 | ||
| BrOBr | Bromine oxide | 1.996 | 1 | 2 |
| 1.996 | 1 | 3 | ||
| BrONO | Bromine nitrite | 1.965 | 1 | 2 |
| BrONO2 | Bromine nitrate | 1.950 | 1 | 2 |