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18 10 26 16 45

CID/6-31G(2df,p) for rCC

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


Differences greater than 0.060 are in the 0.060 bin. Differences less than -0.060 are in the -0.060 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
-0.060 -0.050 -0.040 -0.030 -0.020 -0.010 -0.000 0.010 0.020 0.030 0.040 0.050 0.060
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C3H5 Allyl radical-0.051
Most positive difference CH2CHCH3 Propene0.010

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3H5 Allyl radical 1.428 -0.051
CH2CHCH3 Propene 1.353 -0.031
CH2CHCHO Acrolein 1.341 -0.018
C2H4 Ethylene 1.339 -0.015
C2F2 difluoroacetylene 1.187 -0.015
HCCF Fluoroacetylene 1.198 -0.013
C2H6 Ethane 1.536 -0.010
C2H2 Acetylene 1.203 -0.007
C4 Carbon tetramer 1.304 -0.003
C3H6 Cyclopropane 1.501 -0.002
C2H5F fluoroethane 1.505 0.005
CH2CHCHO Acrolein 1.468 0.006
CH2CHCH3 Propene 1.488 0.010