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18 10 26 16 45

HF/cc-pCVTZ for rCO

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


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

  Species Name Difference (Å)
Most negative difference BH3CO Borane carbonyl-0.036
Most positive difference CF2O Carbonic difluoride-0.023

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BH3CO Borane carbonyl 1.135 -0.036
CO+ carbon monoxide cation 1.115 -0.028
H2CO Formaldehyde 1.205 -0.028
C2H4O Ethylene oxide 1.425 -0.027
CO2 Carbon dioxide 1.162 -0.027
CO Carbon monoxide 1.128 -0.025
CF2O Carbonic difluoride 1.174 -0.023