Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3CH2OH | Ethanol | -0.012 |
Most positive difference | H2O2 | Hydrogen peroxide | 0.015 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3CH2OH | Ethanol | 0.971 | -0.012 |
HOCl | hypochlorous acid | 0.973 | -0.007 |
HCOOH | Formic acid | 0.972 | -0.004 |
NH2OH | hydroxylamine | 0.962 | -0.002 |
OH- | hydroxide anion | 0.964 | 0.000 |
HOSH | hydrogen thioperoxide | 0.961 | 0.002 |
H2O | Water | 0.958 | 0.002 |
OH | Hydroxyl radical | 0.970 | 0.004 |
OH+ | hydoxyl cation | 1.029 | 0.005 |
HNO3 | Nitric acid | 0.964 | 0.006 |
HOF | Hypofluorous acid | 0.960 | 0.009 |
H2O2 | Hydrogen peroxide | 0.950 | 0.015 |