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18 10 26 16 45

BLYP/cc-pV(T+d)Z for rCH

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


Differences greater than 0.014 are in the 0.014 bin. Differences less than -0.010 are in the -0.010 bin.

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

  Species Name Difference (Å)
Most negative difference CH3SH Methanethiol-0.010
Most positive difference CH2F2 Methane, difluoro-0.014

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SH Methanethiol 1.104 -0.010
CH2PH Phosphaethene 1.090 -0.002
CH2CS Thioketene 1.090 -0.002
CH2PH Phosphaethene 1.090 -0.000
CH3Cl Methyl chloride 1.090 0.001
CH3CH2SH ethanethiol 1.095 0.002
C2H6O2S Dimethyl sulfone 1.091 0.003
CH2Cl2 Methylene chloride 1.085 0.003
CH3CHS Thioacetaldehyde 1.090 0.003
CH3CHS Thioacetaldehyde 1.098 0.004
CH3CH2SH ethanethiol 1.092 0.005
CH3CH2SH ethanethiol 1.090 0.005
C2H4S Thiirane 1.083 0.005
H2CS Thioformaldehyde 1.087 0.008
CH3CHS Thioacetaldehyde 1.089 0.009
CH2F2 Methane, difluoro- 1.084 0.014