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18 10 26 16 45

mPW1PW91/STO-3G for rClO

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 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
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HOCl hypochlorous acid0.091
Most positive difference OClO Chlorine dioxide0.315

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOCl hypochlorous acid 1.697 0.091
ClO Monochlorine monoxide 1.596 0.155
OClO Chlorine dioxide 1.470 0.315