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18 10 26 16 45

MP4=FULL/daug-cc-pVTZ 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 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 CO+ carbon monoxide cation-0.018
Most positive difference C3O2 Carbon suboxide0.029

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CO+ carbon monoxide cation 1.115 -0.018
CH3CHO Acetaldehyde 1.216 -0.001
CH3CH2CHO Propanal 1.210 0.005
H2CO Formaldehyde 1.205 0.007
CH2CO Ketene 1.162 0.008
CO2 Carbon dioxide 1.162 0.010
OCS Carbonyl sulfide 1.160 0.011
C2H4O Ethylene oxide 1.425 0.011
OCSe Carbonyl selenide 1.159 0.012
CO Carbon monoxide 1.128 0.013
C3O2 Carbon suboxide 1.146 0.029