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18 10 26 16 45

PBEPBEultrafine/aug-cc-pCVTZ for rOO

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HO2 Hydroperoxy radical0.006
Most positive difference O2 Oxygen diatomic0.012

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HO2 Hydroperoxy radical 1.331 0.006
O2 Oxygen diatomic 1.208 0.012