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18 10 26 16 45

B2PLYP=FULLultrafine/6-31+G** 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 10
histogram chart 8
histogram chart 6 histogram chart
histogram chart 4 histogram chart 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
HOCl hypochlorous acid 0.973 -0.002
HCOOH Formic acid 0.972 0.001
NH2OH hydroxylamine 0.962 0.003
H3O+ hydronium cation 0.976 0.004
H2O+ water cation 0.999 0.005
OH+ hydoxyl cation 1.029 0.005
H2O Water 0.958 0.005
OH- hydroxide anion 0.964 0.005
OH Hydroxyl radical 0.970 0.006
HOSH hydrogen thioperoxide 0.961 0.007
CH2NOH formaldoxime 0.956 0.010
HNO3 Nitric acid 0.964 0.011
HOF Hypofluorous acid 0.960 0.014
H2O2 Hydrogen peroxide 0.950 0.019
KOH Potassium hydroxide 0.912 0.048