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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 | |
MP2/6-311G*
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| 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.787 | 0.102 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BrO+ | Bromine monoxide cation | 1.590 |
| Highest value | BrONO | Bromine nitrite | 1.896 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrO- | Bromine monoxide anion | 1.844 | 1 | 2 |
| BrO | Bromine monoxide | 1.748 | 1 | 2 |
| BrO+ | Bromine monoxide cation | 1.590 | 1 | 2 |
| HOBr | Hypobromous acid | 1.854 | 2 | 3 |
| HOBr+ | Hypobromous acid cation | 1.729 | 2 | 3 |
| BrOCl | Bromine hypochlorite | 1.872 | 1 | 2 |
| OBrO | Bromine dioxide radical | 1.654 | 1 | 2 |
| 1.654 | 1 | 3 | ||
| BrOBr | Bromine oxide | 1.869 | 1 | 2 |
| 1.869 | 1 | 3 | ||
| BrONO | Bromine nitrite | 1.896 | 1 | 2 |
| BrONO2 | Bromine nitrate | 1.860 | 1 | 2 |