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18 10 26 16 45

B3LYP/cc-pCVDZ for rCH

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


Differences greater than 0.018 are in the 0.018 bin. Differences less than -0.006 are in the -0.006 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
-0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SH Methanethiol-0.004
Most positive difference HCN Hydrogen cyanide0.013

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SH Methanethiol 1.104 -0.004
CH2 Methylene 1.085 0.006
CH3Cl Methyl chloride 1.090 0.007
CH2CCH2 allene 1.087 0.007
C2H4 Ethylene 1.086 0.008
C2H6 Ethane 1.091 0.011
H2CS Thioformaldehyde 1.087 0.012
C2H4O Ethylene oxide 1.084 0.013
HCN Hydrogen cyanide 1.064 0.013