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18 10 26 16 45

LSDA/STO-3G for rOH

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


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 12
histogram chart 10 histogram chart
histogram chart 8 histogram chart
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
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference LiOH lithium hydroxide0.037
Most positive difference OH- hydroxide anion0.140

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
LiOH lithium hydroxide 0.969 0.037
C3H8O2 1,3-Propanediol 0.980 0.047
H3O+ hydronium cation 0.976 0.048
HCOOH Formic acid 0.972 0.064
HClO4 perchloric acid 0.980 0.068
HOCO+ Hydrocarboxyl cation 0.977 0.070
HOCl hypochlorous acid 0.973 0.070
CH2CHOH ethenol 0.960 0.071
H2O Water 0.958 0.072
NH2OH hydroxylamine 0.962 0.073
H2SO4 Sulfuric acid 0.970 0.074
HNO2 Nitrous acid 0.959 0.081
HNO3 Nitric acid 0.964 0.082
HOBr Hypobromous acid 0.961 0.084
OH Hydroxyl radical 0.970 0.084
H2O3 Hydrogen trioxide 0.963 0.085
HOF Hypofluorous acid 0.960 0.091
H2O2 Hydrogen peroxide 0.950 0.095
HO2 Hydroperoxy radical 0.971 0.096
MgOH magnesium hydroxide 0.940 0.098
OH- hydroxide anion 0.964 0.140