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18 10 26 16 45

QCISD(TQ)/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
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-0.009
Most positive difference H2CO Formaldehyde0.017

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2COO Dioxymethyl radical 1.272 -0.009
FCO Carbonyl fluoride 1.180 0.002
BH3CO Borane carbonyl 1.135 0.007
HCOOH Formic acid 1.343 0.011
HCOOH Formic acid 1.202 0.011
OCS Carbonyl sulfide 1.160 0.012
CO2 Carbon dioxide 1.162 0.013
CO Carbon monoxide 1.128 0.017
H2CO Formaldehyde 1.205 0.017