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18 10 26 16 45

CCSD(T)/6-31G* for rOH

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 5.500 are in the 5.500 bin. Differences less than -0.500 are in the -0.500 bin.

histogram chart 30
histogram chart 25 histogram chart
histogram chart 20 histogram chart
histogram chart 15 histogram chart
histogram chart 10 histogram chart
histogram chart 5 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-0.500 0.000 0.500 1.000 1.500 2.000 2.500 3.000 3.500 4.000 4.500 5.000 5.500
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HOCH2COOH Hydroxyacetic acid-0.009
Most positive difference C3H8O2 1,3-Propanediol2.581

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOCH2COOH Hydroxyacetic acid 0.989 -0.009
LiOH lithium hydroxide 0.969 -0.007
HOCl hypochlorous acid 0.973 0.006
HClO4 perchloric acid 0.980 0.007
HCOOH Formic acid 0.972 0.009
NH2OH hydroxylamine 0.962 0.011
H2O Water 0.958 0.013
C3H6O 2-Propen-1-ol 0.960 0.013
HO2 Hydroperoxy radical 0.971 0.015
H2O+ water cation 0.999 0.015
H3O+ hydronium cation 0.976 0.015
OH Hydroxyl radical 0.970 0.015
CH3OH Methyl alcohol 0.956 0.016
H2O3 Hydrogen trioxide 0.963 0.018
CH2NOH formaldoxime 0.956 0.018
HOBr Hypobromous acid 0.961 0.019
HNO3 Nitric acid 0.964 0.019
CF3COOH trifluoroacetic acid 0.960 0.021
HOF Hypofluorous acid 0.960 0.021
HOCH2COOH Hydroxyacetic acid 0.956 0.021
OH- hydroxide anion 0.964 0.025
MgOH magnesium hydroxide 0.940 0.025
H2O2 Hydrogen peroxide 0.950 0.027
HNO2 Nitrous acid 0.959 0.031
CaOH Calcium monohydroxide 0.930 0.032
KOH Potassium hydroxide 0.912 0.056
H2SO4 Sulfuric acid 0.970 1.888
CH3CH2OH Ethanol 0.971 2.369
C3H8O2 1,3-Propanediol 0.980 2.581