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18 10 26 16 45

PBEPBEultrafine/6-311G** for rCO

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


Differences greater than 0.011 are in the 0.011 bin. Differences less than -0.001 are in the -0.001 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.001 0.000 0.001 0.002 0.003 0.004 0.005 0.006 0.007 0.008 0.009 0.010 0.011
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference H2CO Formaldehyde0.004
Most positive difference CO Carbon monoxide0.010

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2CO Formaldehyde 1.205 0.004
CO2 Carbon dioxide 1.162 0.010
CO Carbon monoxide 1.128 0.010