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18 10 26 16 45

PBE1PBE/6-31G** for rOH

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


Differences greater than 0.100 are in the 0.100 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 16
histogram chart 14 histogram chart
histogram chart 12 histogram chart
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 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference LiOH lithium hydroxide-0.014
Most positive difference KOH Potassium hydroxide0.048

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
LiOH lithium hydroxide 0.969 -0.014
CH3CH2OH Ethanol 0.971 -0.006
HClO4 perchloric acid 0.980 -0.002
HOCl hypochlorous acid 0.973 -0.002
HCOOH Formic acid 0.972 0.002
NH2OH hydroxylamine 0.962 0.004
C3H6O 2-Propen-1-ol 0.960 0.005
OH Hydroxyl radical 0.970 0.005
H2O Water 0.958 0.007
HOSH hydrogen thioperoxide 0.961 0.008
OH+ hydoxyl cation 1.029 0.008
CH3OH Methyl alcohol 0.956 0.009
H2O+ water cation 0.999 0.009
H3O+ hydronium cation 0.976 0.009
HO2 Hydroperoxy radical 0.971 0.009
HOBr Hypobromous acid 0.961 0.010
H2O3 Hydrogen trioxide 0.963 0.011
CH2NOH formaldoxime 0.956 0.011
HNO3 Nitric acid 0.964 0.011
HOF Hypofluorous acid 0.960 0.013
CF3COOH trifluoroacetic acid 0.960 0.013
OH- hydroxide anion 0.964 0.016
H2O2 Hydrogen peroxide 0.950 0.020
KOH Potassium hydroxide 0.912 0.048