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18 10 26 16 45

MP2/3-21G* 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 16
histogram chart 14 histogram chart
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart histogram chart
histogram chart 6 histogram chart histogram chart
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart 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 C3H8O2 Propylene glycol-0.002
Most positive difference OH- hydroxide anion0.085

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3H8O2 Propylene glycol 1.000 -0.002
LiOH lithium hydroxide 0.969 0.007
HOCH2COOH Hydroxyacetic acid 0.989 0.007
C3H8O2 1,3-Propanediol 0.980 0.011
H3O+ hydronium cation 0.976 0.016
CH3CH2OH Ethanol 0.971 0.022
H2NCH2COOH Glycine 0.974 0.023
HClO4 perchloric acid 0.980 0.025
HCOOH Formic acid 0.972 0.025
H2SO4 Sulfuric acid 0.970 0.025
HO2 Hydroperoxy radical 0.971 0.027
H2O+ water cation 0.999 0.030
HOCl hypochlorous acid 0.973 0.030
H2O Water 0.958 0.031
NH2OH hydroxylamine 0.962 0.031
C3H6O 2-Propen-1-ol 0.960 0.033
MgOH magnesium hydroxide 0.940 0.033
CH2CHOH ethenol 0.960 0.034
HOCO+ Hydrocarboxyl cation 0.977 0.035
CF3COOH trifluoroacetic acid 0.960 0.036
CH3OH Methyl alcohol 0.956 0.036
C6H5OH phenol 0.956 0.036
HOSH hydrogen thioperoxide 0.961 0.036
OH Hydroxyl radical 0.970 0.036
HOI Hypoiodous acid 0.967 0.036
OH+ hydoxyl cation 1.029 0.037
CH2NOH formaldoxime 0.956 0.039
H2O3 Hydrogen trioxide 0.963 0.040
HOCH2COOH Hydroxyacetic acid 0.956 0.040
HNO3 Nitric acid 0.964 0.040
HNO2 Nitrous acid 0.959 0.041
C2H6O2 1,2-Ethanediol 0.950 0.041
HOF Hypofluorous acid 0.960 0.043
HOBr Hypobromous acid 0.961 0.043
CaOH Calcium monohydroxide 0.930 0.053
KOH Potassium hydroxide 0.912 0.073
OH- hydroxide anion 0.964 0.085