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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 | |
CCD/6-31G
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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 |
|---|---|
| 1.886 | 0.094 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BrO+ | Bromine monoxide cation | 1.689 |
| Highest value | BrO- | Bromine monoxide anion | 1.998 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrO- | Bromine monoxide anion | 1.998 | 1 | 2 |
| BrO | Bromine monoxide | 1.818 | 1 | 2 |
| BrO+ | Bromine monoxide cation | 1.689 | 1 | 2 |
| HOBr | Hypobromous acid | 1.956 | 2 | 3 |
| HOBr+ | Hypobromous acid cation | 1.825 | 2 | 3 |
| BrOCl | Bromine hypochlorite | 1.967 | 1 | 2 |
| OBrO | Bromine dioxide radical | 1.793 | 1 | 2 |
| 1.793 | 1 | 3 | ||
| BrOBr | Bromine oxide | 1.966 | 1 | 2 |
| 1.966 | 1 | 3 | ||
| BrONO | Bromine nitrite | 1.934 | 1 | 2 |
| BrONO2 | Bromine nitrate | 1.923 | 1 | 2 |