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18 10 26 16 45

CCSD/CEP-121G for rCO

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 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
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CO2 Carbon dioxide0.047
Most positive difference H2CO Formaldehyde0.058

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CO2 Carbon dioxide 1.162 0.047
CO Carbon monoxide 1.128 0.048
H2CO Formaldehyde 1.205 0.058