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18 10 26 16 45

B97D3/cc-pCVTZ for rCH

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 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
-0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SH Methanethiol-0.012
Most positive difference CH2F2 Methane, difluoro-0.013

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SH Methanethiol 1.104 -0.012
CH2Cl chloromethyl radical 1.090 -0.010
CH3Cl Methyl chloride 1.090 -0.000
CH2Cl2 Methylene chloride 1.085 0.002
H2CO Formaldehyde 1.111 0.004
CHF3 Methane, trifluoro- 1.091 0.004
CH3CH2SH ethanethiol 1.091 0.006
H2CS Thioformaldehyde 1.087 0.007
HCN Hydrogen cyanide 1.064 0.007
HCCF Fluoroacetylene 1.053 0.011
CH2F2 Methane, difluoro- 1.084 0.013