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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 | |
LSDA/aug-cc-pVTZ
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| 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.766 | 0.070 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | OBrO | Bromine dioxide radical | 1.646 |
| Highest value | BrOCl | Bromine hypochlorite | 1.837 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrO- | Bromine monoxide anion | 1.782 | 1 | 2 |
| BrO | Bromine monoxide | 1.701 | 1 | 2 |
| HOBr | Hypobromous acid | 1.819 | 2 | 3 |
| HOBr+ | Hypobromous acid cation | 1.725 | 2 | 3 |
| BrOCl | Bromine hypochlorite | 1.837 | 1 | 2 |
| OBrO | Bromine dioxide radical | 1.646 | 1 | 2 |
| 1.646 | 1 | 3 | ||
| BrOBr | Bromine oxide | 1.828 | 1 | 2 |
| 1.828 | 1 | 3 | ||
| BrONO | Bromine nitrite | 1.813 | 1 | 2 |
| BrONO2 | Bromine nitrate | 1.807 | 1 | 2 |