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18 10 26 16 45

B97D3/3-21G* 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 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart 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 hydroxide0.012
Most positive difference OH- hydroxide anion0.101

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
LiOH lithium hydroxide 0.969 0.012
H3O+ hydronium cation 0.976 0.021
CH3CH2OH Ethanol 0.971 0.029
HCOOH Formic acid 0.972 0.034
HOCl hypochlorous acid 0.973 0.039
NH2OH hydroxylamine 0.962 0.041
HOI Hypoiodous acid 0.967 0.041
H2O Water 0.958 0.044
HOSH hydrogen thioperoxide 0.961 0.046
H2O+ water cation 0.999 0.047
HNO3 Nitric acid 0.964 0.048
OH Hydroxyl radical 0.970 0.053
HOF Hypofluorous acid 0.960 0.054
OH+ hydoxyl cation 1.029 0.063
KOH Potassium hydroxide 0.912 0.084
OH- hydroxide anion 0.964 0.101