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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 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 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 histogram chart
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ClOOCl Dichlorine dioxide0.003
Most positive difference FOO Dioxygen monofluoride radical0.129

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ClOOCl Dichlorine dioxide 1.426 0.003
CH2O2 Dioxirane 1.516 0.043
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 0.075
HO2 Hydroperoxy radical 1.331 0.081
O2 Oxygen diatomic 1.208 0.082
FOO Dioxygen monofluoride radical 1.200 0.129