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18 10 26 16 45

B1B95/CEP-121G* for rCH

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


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 bin.

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

  Species Name Difference (Å)
Most negative difference C7H12 Norbornane-0.016
Most positive difference C3H5 Allyl radical0.022

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C7H12 Norbornane 1.113 -0.016
H2CO Formaldehyde 1.111 -0.000
C2H4 Ethylene 1.086 0.003
C3H6 Cyclopropane 1.083 0.003
C2H6 Ethane 1.091 0.004
CH4 Methane 1.087 0.005
HFCO formyl fluoride 1.095 0.005
SiH2(CH3)2 dimethylsilane 1.089 0.007
C2H2 Acetylene 1.063 0.008
C3H5 Allyl radical 1.069 0.022