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18 10 26 16 45

MP4=FULL/daug-cc-pVDZ for rCO

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


Differences greater than 0.050 are in the 0.050 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CO+ carbon monoxide cation-0.008
Most positive difference C3O2 Carbon suboxide0.046

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CO+ carbon monoxide cation 1.115 -0.008
CH3CHO Acetaldehyde 1.216 0.013
CH3CH2CHO Propanal 1.210 0.019
H2CO Formaldehyde 1.205 0.021
CO2 Carbon dioxide 1.162 0.023
CH2CO Ketene 1.162 0.024
OCS Carbonyl sulfide 1.160 0.027
CO Carbon monoxide 1.128 0.029
OCSe Carbonyl selenide 1.159 0.029
C2H4O Ethylene oxide 1.425 0.032
C3O2 Carbon suboxide 1.146 0.046