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18 10 26 16 45

CCSD(T)=FULL/cc-pVDZ for rOH

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


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 12
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HOCH2COOH Hydroxyacetic acid-0.015
Most positive difference OH- hydroxide anion0.022

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOCH2COOH Hydroxyacetic acid 0.989 -0.015
LiOH lithium hydroxide 0.969 -0.011
HClO4 perchloric acid 0.980 -0.001
HOCl hypochlorous acid 0.973 -0.000
HCOOH Formic acid 0.972 0.003
NH2OH hydroxylamine 0.962 0.004
HO2 Hydroperoxy radical 0.971 0.007
H3O+ hydronium cation 0.976 0.008
H2O+ water cation 0.999 0.008
H2O Water 0.958 0.008
OH+ hydoxyl cation 1.029 0.009
HOSH hydrogen thioperoxide 0.961 0.009
OH Hydroxyl radical 0.970 0.009
CH3OH Methyl alcohol 0.956 0.010
H2O3 Hydrogen trioxide 0.963 0.011
CH2NOH formaldoxime 0.956 0.011
HNO3 Nitric acid 0.964 0.012
HOBr Hypobromous acid 0.961 0.012
CF3COOH trifluoroacetic acid 0.960 0.014
HOF Hypofluorous acid 0.960 0.015
HOCH2COOH Hydroxyacetic acid 0.956 0.016
OH- hydroxide anion 0.964 0.022