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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
histogram chart 0 histogram chart 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-0.017
Most positive difference C3H5 Allyl radical0.021

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C7H12 Norbornane 1.113 -0.017
H2CO Formaldehyde 1.111 -0.006
HFCO formyl fluoride 1.095 -0.000
C3H6 Cyclopropane 1.083 0.002
C2H4 Ethylene 1.086 0.002
C2H6 Ethane 1.091 0.004
C2H2 Acetylene 1.063 0.005
CH3I methyl iodide 1.084 0.005
CH4 Methane 1.087 0.005
SiH2(CH3)2 dimethylsilane 1.089 0.006
C6H5Br bromobenzene 1.072 0.013
C3H5 Allyl radical 1.069 0.021