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18 10 26 16 45

MP3=FULL/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 0 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 hydroxide0.003
Most positive difference OH- hydroxide anion0.092

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
LiOH lithium hydroxide 0.969 0.003
H3O+ hydronium cation 0.976 0.014
HCOOH Formic acid 0.972 0.019
HOCl hypochlorous acid 0.973 0.025
NH2OH hydroxylamine 0.962 0.028
H2O+ water cation 0.999 0.029
H2O Water 0.958 0.030
HOSH hydrogen thioperoxide 0.961 0.032
CH2NOH formaldoxime 0.956 0.034
OH+ hydoxyl cation 1.029 0.038
OH Hydroxyl radical 0.970 0.039
KOH Potassium hydroxide 0.912 0.077
OH- hydroxide anion 0.964 0.092