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18 10 26 16 45

B3LYPultrafine/aug-cc-pCVTZ for rOH

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


Differences greater than 0.016 are in the 0.016 bin. Differences less than -0.008 are in the -0.008 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart
-0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HOCl hypochlorous acid-0.006
Most positive difference HOF Hypofluorous acid0.011

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOCl hypochlorous acid 0.973 -0.006
HO2 Hydroperoxy radical 0.971 0.006
HOF Hypofluorous acid 0.960 0.011