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18 10 26 16 45

QCISD(T)/cc-pVDZ for rOH

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


Differences greater than 2.200 are in the 2.200 bin. Differences less than -0.200 are in the -0.200 bin.

histogram chart 25
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
-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 HOCH2COOH Hydroxyacetic acid-0.014
Most positive difference H2SO4 Sulfuric acid1.868

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOCH2COOH Hydroxyacetic acid 0.989 -0.014
LiOH lithium hydroxide 0.969 -0.011
HClO4 perchloric acid 0.980 -0.000
HOCl hypochlorous acid 0.973 0.000
HCOOH Formic acid 0.972 0.004
NH2OH hydroxylamine 0.962 0.005
HO2 Hydroperoxy radical 0.971 0.008
H3O+ hydronium cation 0.976 0.008
H2O+ water cation 0.999 0.008
C3H6O 2-Propen-1-ol 0.960 0.009
H2O Water 0.958 0.009
OH Hydroxyl radical 0.970 0.010
CH3OH Methyl alcohol 0.956 0.011
H2O3 Hydrogen trioxide 0.963 0.012
CH2NOH formaldoxime 0.956 0.012
HNO3 Nitric acid 0.964 0.013
HOBr Hypobromous acid 0.961 0.013
HOCO+ Hydrocarboxyl cation 0.977 0.015
CF3COOH trifluoroacetic acid 0.960 0.015
HOF Hypofluorous acid 0.960 0.015
HOCH2COOH Hydroxyacetic acid 0.956 0.017
H2O2 Hydrogen peroxide 0.950 0.021
OH- hydroxide anion 0.964 0.023
H2SO4 Sulfuric acid 0.970 1.868