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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 | |
HF/LANL2DZ
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| 1.00 | 2.00 | 3.00 | 4.00 | 5.00 | 6.00 | 7.00 | 8.00 | 9.00 | 10.00 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.403 | 1.697 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HOBr+ | Hypobromous acid cation | 1.761 |
| Highest value | BrO | Bromine monoxide | 8.025 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrO- | Bromine monoxide anion | 2.056 | 1 | 2 |
| BrO | Bromine monoxide | 8.025 | 1 | 2 |
| BrO+ | Bromine monoxide cation | 2.073 | 1 | 2 |
| HOBr | Hypobromous acid | 1.886 | 2 | 3 |
| HOBr+ | Hypobromous acid cation | 1.761 | 2 | 3 |
| BrOCl | Bromine hypochlorite | 1.894 | 1 | 2 |
| OBrO | Bromine dioxide radical | 1.800 | 1 | 2 |
| 1.800 | 1 | 3 | ||
| BrOBr | Bromine oxide | 1.890 | 1 | 2 |
| 1.890 | 1 | 3 | ||
| BrONO | Bromine nitrite | 1.877 | 1 | 2 |
| BrONO2 | Bromine nitrate | 1.890 | 1 | 2 |