Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/6-31G
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0 | ||||||||||||||||||||||||||||||||||
1.86 | 1.88 | 1.90 | 1.92 | 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.937 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | OBrO | Bromine dioxide radical | 1.864 |
Highest value | BrO- | Bromine monoxide anion | 2.039 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrO- | Bromine monoxide anion | 2.039 | 1 | 2 |
BrO | Bromine monoxide | 1.912 | 1 | 2 |
BrO+ | Bromine monoxide cation | 1.892 | 1 | 2 |
HOBr | Hypobromous acid | 1.968 | 2 | 3 |
HOBr+ | Hypobromous acid cation | 1.880 | 2 | 3 |
BrOCl | Bromine hypochlorite | 1.981 | 1 | 2 |
OBrO | Bromine dioxide radical | 1.864 | 1 | 2 |
1.864 | 1 | 3 | ||
BrOBr | Bromine oxide | 1.979 | 1 | 2 |
1.979 | 1 | 3 | ||
BrONO | Bromine nitrite | 1.947 | 1 | 2 |
BrONO2 | Bromine nitrate | 1.938 | 1 | 2 |