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Compare Bonds

18 10 26 16 45

CCSD=FULL/TZVP for rOH

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


Differences greater than 0.090 are in the 0.090 bin. Differences less than -0.030 are in the -0.030 bin.

histogram chart 14
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference LiOH lithium hydroxide-0.020
Most positive difference KOH Potassium hydroxide0.042

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
LiOH lithium hydroxide 0.969 -0.020
HOCl hypochlorous acid 0.973 -0.008
HCOOH Formic acid 0.972 -0.004
NH2OH hydroxylamine 0.962 -0.002
C3H6O 2-Propen-1-ol 0.960 0.000
HOSH hydrogen thioperoxide 0.961 0.001
HO2 Hydroperoxy radical 0.971 0.001
OH+ hydoxyl cation 1.029 0.002
H2O+ water cation 0.999 0.002
H3O+ hydronium cation 0.976 0.002
H2O Water 0.958 0.002
OH Hydroxyl radical 0.970 0.003
OH- hydroxide anion 0.964 0.004
HOBr Hypobromous acid 0.961 0.004
H2O3 Hydrogen trioxide 0.963 0.005
HNO3 Nitric acid 0.964 0.005
CH2NOH formaldoxime 0.956 0.005
CF3COOH trifluoroacetic acid 0.960 0.007
HOF Hypofluorous acid 0.960 0.008
H2O2 Hydrogen peroxide 0.950 0.014
KOH Potassium hydroxide 0.912 0.042