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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=FULL/cc-pVQZ
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| 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.712 | 0.083 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BrO+ | Bromine monoxide cation | 1.574 |
| Highest value | HOBr | Hypobromous acid | 1.816 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrO- | Bromine monoxide anion | 1.774 | 1 | 2 |
| BrO | Bromine monoxide | 1.696 | 1 | 2 |
| BrO+ | Bromine monoxide cation | 1.574 | 1 | 2 |
| HOBr | Hypobromous acid | 1.816 | 2 | 3 |
| HOBr+ | Hypobromous acid cation | 1.698 | 2 | 3 |