Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
0.95 | 0.95 | 0.96 | 0.96 | 0.97 | 0.97 | 0.98 | 0.98 | 0.99 | 0.99 | 1.00 | 1.00 | 1.01 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
0.972 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeOH | beryllium monohydroxide | 0.950 |
Highest value | HOCl+ | hypochlorous acid cation | 0.997 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
OH | Hydroxyl radical | 0.967 | 1 | 2 |
BeOH | beryllium monohydroxide | 0.950 | 1 | 3 |
SOH+ | Sulfur Monoxide, protonated | 0.984 | 2 | 3 |
HOCl+ | hypochlorous acid cation | 0.997 | 1 | 2 |
NH2OH+ | Hydroxylamine cation | 0.980 | 2 | 3 |
CH3OH+ | Methyl alcohol cation | 0.985 | 2 | 6 |
NH3OH+ | N-protonated hydroxylamine | 0.971 | 2 | 3 |
NH2OH2+ | protonated hydroxylamine | 0.977 | 2 | 5 |
0.978 | 2 | 6 | ||
Be(OH)2 | Beryllium hydroxide | 0.952 | 2 | 4 |
0.952 | 3 | 5 |