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Compare Bonds

18 10 26 16 45

QCISD(T)=FULL/6-31+G** for rCO

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 18
histogram chart 16 histogram chart
histogram chart 14 histogram chart
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart histogram chart
histogram chart 4 histogram chart histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HCO Formyl radical-0.003
Most positive difference C4H8O2 Ethyl acetate0.066

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCO Formyl radical 1.198 -0.003
C3H6O3 1,3,5-Trioxane 1.421 -0.003
C2H2O4 Oxalic Acid 1.336 -0.001
CF3OF Trifluoromethylhypofluorite 1.395 0.002
FCO Carbonyl fluoride 1.180 0.004
CH3OC2H5 Ethane, methoxy- 1.415 0.006
C5H8O Methyl cyclopropyl ketone 1.225 0.007
H2COO Dioxymethyl radical 1.272 0.007
C3H2O3 vinylene carbonate 1.385 0.008
C5H8O Cyclopentanone 1.215 0.009
CH3CHO Acetaldehyde 1.216 0.009
BH3CO Borane carbonyl 1.135 0.010
C3H2O3 vinylene carbonate 1.191 0.010
HCOOH Formic acid 1.343 0.011
CF2O Carbonic difluoride 1.174 0.011
C2H2O4 Oxalic Acid 1.205 0.012
HCOOH Formic acid 1.202 0.012
CH2CHCHO Acrolein 1.215 0.013
C4H8O2 Ethyl acetate 1.345 0.014
OCSe Carbonyl selenide 1.159 0.014
CH3CH2CHO Propanal 1.210 0.015
C3H2O3 vinylene carbonate 1.364 0.015
OCS Carbonyl sulfide 1.160 0.016
C2H4O Ethylene oxide 1.425 0.017
C4H8O2 Ethyl acetate 1.203 0.018
CH3OC2H5 Ethane, methoxy- 1.407 0.018
CH2CO Ketene 1.162 0.018
ClCOClCO Oxalyl chloride 1.182 0.020
CO Carbon monoxide 1.128 0.020
C2H5NO3 Nitric acid, ethyl ester 1.430 0.029
C3O2 Carbon suboxide 1.146 0.033
C4H8O2 Ethyl acetate 1.448 0.066