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18 10 26 16 45

PBE1PBE/CEP-121G* for rCH

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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 histogram chart histogram chart
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference H2CO Formaldehyde0.002
Most positive difference C3H5 Allyl radical0.024

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2CO Formaldehyde 1.111 0.002
C2H4 Ethylene 1.086 0.004
C3H6 Cyclopropane 1.083 0.005
C2H6 Ethane 1.091 0.006
CH4 Methane 1.087 0.007
C2H2 Acetylene 1.063 0.009
C3H5 Allyl radical 1.069 0.024