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18 10 26 16 45

QCISD(T)/6-311G** 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 16
histogram chart 14 histogram chart
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart histogram chart
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart 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 C2HF3 Trifluoroethylene-0.018
Most positive difference C3H5 Allyl radical0.023

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C2HF3 Trifluoroethylene 1.100 -0.018
CH2CHOH ethenol 1.097 -0.009
C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1.089 -0.004
H2CO Formaldehyde 1.111 -0.001
C2H3Br vinyl bromide 1.088 -0.001
CH3NC methyl isocyanide 1.094 0.000
CH2CHCHO Acrolein 1.113 0.002
CH2CHCHO Acrolein 1.089 0.002
CH2O2 Dioxirane 1.090 0.002
C2H5F fluoroethane 1.095 0.002
HFCO formyl fluoride 1.095 0.002
C2H4 Ethylene 1.086 0.003
CH2CHOH ethenol 1.086 0.003
C3H6 Cyclopropane 1.083 0.004
C2H2 Acetylene 1.063 0.004
C2H2F2 Ethene, 1,2-difluoro-, (E)- 1.080 0.005
CH2NN diazomethane 1.075 0.005
CH2CHCHO Acrolein 1.084 0.006
CH2CHOH ethenol 1.079 0.006
C2H3Br vinyl bromide 1.080 0.006
C2H5F fluoroethane 1.090 0.006
CH3I methyl iodide 1.084 0.006
C2H6 Ethane 1.091 0.006
CH2CHCHO Acrolein 1.081 0.006
C2H5F fluoroethane 1.091 0.007
CH4 Methane 1.087 0.007
C2H3Br vinyl bromide 1.080 0.008
CH2I2 Diiodomethane 1.066 0.022
C3H5 Allyl radical 1.069 0.023