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18 10 26 16 45

mPW1PW91/3-21G* for rOO

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 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 histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH2O2 Dioxirane0.043
Most positive difference O2 Oxygen diatomic0.082

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH2O2 Dioxirane 1.516 0.043
ClOOCl Dichlorine dioxide 1.426 0.048
H2O3 Hydrogen trioxide 1.428 0.061
O2- oxygen diatomic anion 1.350 0.065
O2+ diatomic oxygen cation 1.116 0.068
O3 Ozone 1.278 0.077
HO2 Hydroperoxy radical 1.331 0.082
O2 Oxygen diatomic 1.208 0.082