Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/CEP-31G
5 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.896 | 0.107 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrO+ | Bromine monoxide cation | 1.669 |
Highest value | BrOBr | Bromine oxide | 2.001 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrO- | Bromine monoxide anion | 1.976 | 1 | 2 |
BrO | Bromine monoxide | 1.797 | 1 | 2 |
BrO+ | Bromine monoxide cation | 1.669 | 1 | 2 |
HOBr | Hypobromous acid | 1.965 | 2 | 3 |
HOBr+ | Hypobromous acid cation | 1.828 | 2 | 3 |
BrOCl | Bromine hypochlorite | 1.996 | 1 | 2 |
OBrO | Bromine dioxide radical | 1.796 | 1 | 2 |
1.796 | 1 | 3 | ||
BrOBr | Bromine oxide | 2.001 | 1 | 2 |
2.001 | 1 | 3 | ||
BrONO | Bromine nitrite | 1.970 | 1 | 2 |
BrONO2 | Bromine nitrate | 1.954 | 1 | 2 |