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18 10 26 16 45

QCISD(TQ)/cc-pVTZ for rCO

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


Differences greater than 0.016 are in the 0.016 bin. Differences less than -0.008 are in the -0.008 bin.

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

  Species Name Difference (Å)
Most negative difference H2COO Dioxymethyl radical-0.008
Most positive difference CO Carbon monoxide0.005

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2COO Dioxymethyl radical 1.272 -0.008
FCO Carbonyl fluoride 1.180 -0.007
BH3CO Borane carbonyl 1.135 -0.004
OCS Carbonyl sulfide 1.160 -0.001
HCOOH Formic acid 1.202 -0.001
CO2 Carbon dioxide 1.162 0.002
HCOOH Formic acid 1.343 0.003
H2CO Formaldehyde 1.205 0.004
CO Carbon monoxide 1.128 0.005