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18 10 26 16 45

wB97X-D/LANL2DZ for rOH

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart 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
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference LiOH lithium hydroxide-0.010
Most positive difference KOH Potassium hydroxide0.057

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
LiOH lithium hydroxide 0.969 -0.010
H3O+ hydronium cation 0.976 0.001
CH3CH2OH Ethanol 0.971 0.002
HCOOH Formic acid 0.972 0.007
H2O+ water cation 0.999 0.011
HOCl hypochlorous acid 0.973 0.012
H2O Water 0.958 0.012
NH2OH hydroxylamine 0.962 0.013
HOI Hypoiodous acid 0.967 0.014
HOSH hydrogen thioperoxide 0.961 0.018
CH2NOH formaldoxime 0.956 0.019
OH+ hydoxyl cation 1.029 0.019
HNO3 Nitric acid 0.964 0.021
OH Hydroxyl radical 0.970 0.024
HOF Hypofluorous acid 0.960 0.027
H2O2 Hydrogen peroxide 0.950 0.030
OH- hydroxide anion 0.964 0.032
KOH Potassium hydroxide 0.912 0.057