Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.814 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOBr+ | Hypobromous acid cation | 1.743 |
Highest value | HOBr | Hypobromous acid | 1.868 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrO- | Bromine monoxide anion | 1.845 | 1 | 2 |
BrO | Bromine monoxide | 1.757 | 1 | 2 |
HOBr | Hypobromous acid | 1.868 | 2 | 3 |
HOBr+ | Hypobromous acid cation | 1.743 | 2 | 3 |
BrONO2 | Bromine nitrate | 1.855 | 1 | 2 |