Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.200 | 0.000 | 0.200 | 0.400 | 0.600 | 0.800 | 1.000 | 1.200 | 1.400 | 1.600 | 1.800 | 2.000 | 2.200 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3CH2OH | Ethanol | -0.011 |
Most positive difference | H2SO4 | Sulfuric acid | 1.875 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3CH2OH | Ethanol | 0.971 | -0.011 |
HOCl | hypochlorous acid | 0.973 | -0.007 |
HCOOH | Formic acid | 0.972 | -0.003 |
NH2OH | hydroxylamine | 0.962 | -0.002 |
H2O | Water | 0.958 | 0.002 |
HNO3 | Nitric acid | 0.964 | 0.007 |
HOF | Hypofluorous acid | 0.960 | 0.009 |
H2O2 | Hydrogen peroxide | 0.950 | 0.015 |
H2SO4 | Sulfuric acid | 0.970 | 1.875 |