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18 10 26 16 45

MP2/6-31G 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 14
histogram chart 12 histogram chart
histogram chart 10 histogram chart 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
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
-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 C3H8O2 Propylene glycol-0.016
Most positive difference KOH Potassium hydroxide0.062

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3H8O2 Propylene glycol 1.000 -0.016
LiOH lithium hydroxide 0.969 -0.005
HOCH2COOH Hydroxyacetic acid 0.989 -0.004
C3H8O2 1,3-Propanediol 0.980 -0.002
H3O+ hydronium cation 0.976 0.006
CH3CH2OH Ethanol 0.971 0.009
H2NCH2COOH Glycine 0.974 0.011
OH+ hydoxyl cation 1.029 0.011
H2O+ water cation 0.999 0.012
HCOOH Formic acid 0.972 0.014
H2O Water 0.958 0.017
NH2OH hydroxylamine 0.962 0.018
HO2 Hydroperoxy radical 0.971 0.019
MgOH magnesium hydroxide 0.940 0.019
HOCl hypochlorous acid 0.973 0.019
HClO4 perchloric acid 0.980 0.020
C3H6O 2-Propen-1-ol 0.960 0.020
CH2CHOH ethenol 0.960 0.021
OH Hydroxyl radical 0.970 0.022
HOCO+ Hydrocarboxyl cation 0.977 0.022
CH3OH Methyl alcohol 0.956 0.023
C6H5OH phenol 0.956 0.024
H2SO4 Sulfuric acid 0.970 0.025
CF3COOH trifluoroacetic acid 0.960 0.025
CH2NOH formaldoxime 0.956 0.026
HOSH hydrogen thioperoxide 0.961 0.026
CH3CHNOH Acetaldoxime 0.956 0.026
HOCH2COOH Hydroxyacetic acid 0.956 0.027
HNO3 Nitric acid 0.964 0.028
H2O3 Hydrogen trioxide 0.963 0.028
C2H6O2 1,2-Ethanediol 0.950 0.028
HNO2 Nitrous acid 0.959 0.029
HOBr Hypobromous acid 0.961 0.030
HOF Hypofluorous acid 0.960 0.032
CaOH Calcium monohydroxide 0.930 0.033
OH- hydroxide anion 0.964 0.042
KOH Potassium hydroxide 0.912 0.062