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18 10 26 16 45

CCSD(T)/cc-pVQZ for rCO

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


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6 histogram chart
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HCO Formyl radical-0.020
Most positive difference C3O2 Carbon suboxide0.016

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCO Formyl radical 1.198 -0.020
FCO Carbonyl fluoride 1.180 -0.010
BH3CO Borane carbonyl 1.135 -0.006
C2H2O2 Ethanedial 1.212 -0.005
OCSe Carbonyl selenide 1.159 -0.003
CH2CHCHO Acrolein 1.215 -0.003
HCOOH Formic acid 1.202 -0.003
OCS Carbonyl sulfide 1.160 -0.002
CF2O Carbonic difluoride 1.174 -0.001
CO+ carbon monoxide cation 1.115 -0.001
CO2 Carbon dioxide 1.162 0.001
HCOOH Formic acid 1.343 0.001
CH2CO Ketene 1.162 0.001
H2CO Formaldehyde 1.205 0.002
CHONH2 formamide 1.210 0.002
CO Carbon monoxide 1.128 0.003
C2H4O Ethylene oxide 1.425 0.004
C3O2 Carbon suboxide 1.146 0.016