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18 10 26 16 45

mPW1PW91/STO-3G for rOCl

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
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 CH3OCl methyl hypochlorite0.125
Most positive difference HClO4 perchloric acid0.414

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3OCl methyl hypochlorite 1.674 0.125
ClOOCl Dichlorine dioxide 1.704 0.145
ClOF3 Chlorine trifluoride oxide 1.405 0.359
HClO4 perchloric acid 1.414 0.377
HClO4 perchloric acid 1.404 0.389
HClO4 perchloric acid 1.641 0.414