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18 10 26 16 45

B1B95/cc-pVDZ for rOO

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


Differences greater than 0.000 are in the 0.000 bin. Differences less than -0.120 are in the -0.120 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.120 -0.110 -0.100 -0.090 -0.080 -0.070 -0.060 -0.050 -0.040 -0.030 -0.020 -0.010 0.000
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ClOOCl Dichlorine dioxide-0.111
Most positive difference O2 Oxygen diatomic-0.011

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ClOOCl Dichlorine dioxide 1.426 -0.111
H2O2 Hydrogen peroxide 1.475 -0.043
CH2O2 Dioxirane 1.516 -0.036
O3 Ozone 1.278 -0.035
H2O3 Hydrogen trioxide 1.428 -0.020
HO2 Hydroperoxy radical 1.331 -0.014
O2- oxygen diatomic anion 1.350 -0.013
O2+ diatomic oxygen cation 1.116 -0.013
O2 Oxygen diatomic 1.208 -0.011