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18 10 26 16 45

B2PLYP/aug-cc-pVQZ for rCC

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


Differences greater than 0.012 are in the 0.012 bin. Differences less than -0.012 are in the -0.012 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart
-0.012 -0.010 -0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C2H4 Ethylene-0.012
Most positive difference CH2CHCHO Acrolein0.001

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C2H4 Ethylene 1.339 -0.012
CH2CHCHO Acrolein 1.341 -0.008
CH2CHCHO Acrolein 1.468 0.001