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18 10 26 16 45

PBE1PBE/cc-pCVTZ for rCH

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


Differences greater than 0.008 are in the 0.008 bin. Differences less than -0.016 are in the -0.016 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.016 -0.014 -0.012 -0.010 -0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SH Methanethiol-0.015
Most positive difference HCCF Fluoroacetylene0.009

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SH Methanethiol 1.104 -0.015
CH2Cl chloromethyl radical 1.090 -0.012
CH3Cl Methyl chloride 1.090 -0.003
H2CO Formaldehyde 1.111 -0.003
C2H4 Ethylene 1.086 -0.002
CH2Cl2 Methylene chloride 1.085 -0.000
CH3 Methyl radical 1.079 0.000
CHF3 Methane, trifluoro- 1.091 0.001
CH3CH2SH ethanethiol 1.091 0.002
H2CS Thioformaldehyde 1.087 0.003
HCN Hydrogen cyanide 1.064 0.004
CH2F2 Methane, difluoro- 1.084 0.009
HCCF Fluoroacetylene 1.053 0.009