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18 10 26 16 45

QCISD(TQ)=FULL/6-31+G** for rCO

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


Differences greater than 0.050 are in the 0.050 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 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference H2COO Dioxymethyl radical-0.010
Most positive difference CO Carbon monoxide0.016

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2COO Dioxymethyl radical 1.272 -0.010
FCO Carbonyl fluoride 1.180 0.001
BH3CO Borane carbonyl 1.135 0.006
HCOOH Formic acid 1.343 0.010
HCOOH Formic acid 1.202 0.011
OCS Carbonyl sulfide 1.160 0.011
CO Carbon monoxide 1.128 0.016