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18 10 26 16 45

MP4/6-311+G(3df,2p) 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 4 histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart 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 CO+ carbon monoxide cation-0.017
Most positive difference C3O2 Carbon suboxide0.032

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CO+ carbon monoxide cation 1.115 -0.017
C3H6O3 1,3,5-Trioxane 1.421 -0.011
C3H2O3 vinylene carbonate 1.385 -0.002
CH3CHO Acetaldehyde 1.216 0.000
C3H2O3 vinylene carbonate 1.191 0.003
HCOOH Formic acid 1.202 0.004
HCOOH Formic acid 1.343 0.005
CH3CH2CHO Propanal 1.210 0.006
H2CO Formaldehyde 1.205 0.008
C3H2O3 vinylene carbonate 1.364 0.009
CH2CO Ketene 1.162 0.011
CO2 Carbon dioxide 1.162 0.011
C2H4O Ethylene oxide 1.425 0.012
OCS Carbonyl sulfide 1.160 0.014
CO Carbon monoxide 1.128 0.015
OCSe Carbonyl selenide 1.159 0.015
H2COO Dioxymethyl radical 1.272 0.026
C3O2 Carbon suboxide 1.146 0.032