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18 10 26 16 45

MP4/TZVP for rOH

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


Differences greater than 0.040 are in the 0.040 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 2 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 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference LiOH lithium hydroxide-0.017
Most positive difference KOH Potassium hydroxide0.040

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
LiOH lithium hydroxide 0.969 -0.017
HOCl hypochlorous acid 0.973 -0.004
HCOOH Formic acid 0.972 0.000
OH+ hydoxyl cation 1.029 0.001
NH2OH hydroxylamine 0.962 0.001
H2O+ water cation 0.999 0.003
H3O+ hydronium cation 0.976 0.004
HO2 Hydroperoxy radical 0.971 0.004
OH Hydroxyl radical 0.970 0.005
H2O Water 0.958 0.005
HOSH hydrogen thioperoxide 0.961 0.005
CH3OH Methyl alcohol 0.956 0.007
OH- hydroxide anion 0.964 0.007
HOBr Hypobromous acid 0.961 0.008
H2O3 Hydrogen trioxide 0.963 0.009
CH2NOH formaldoxime 0.956 0.009
CF3COOH trifluoroacetic acid 0.960 0.012
H2O2 Hydrogen peroxide 0.950 0.018
KOH Potassium hydroxide 0.912 0.040