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18 10 26 16 45

MP3=FULL/cc-pVDZ for rCCl

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3Cl Methyl chloride0.003
Most positive difference CFCl chlorofluoromethylene0.046

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3Cl Methyl chloride 1.785 0.003
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.010
ClCOClCO Oxalyl chloride 1.744 0.013
CH2Cl2 Methylene chloride 1.767 0.013
C6H4Cl2 1,4-dichlorobenzene 1.729 0.018
CH2ClCCCl 1,3-dichloropropyne 1.638 0.020
HCCCl Chloroacetylene 1.637 0.021
CH2BrCl Methane, bromochloro- 1.755 0.022
CF2CCl2 difluorodichloroethylene 1.706 0.023
CH2ClCCCl 1,3-dichloropropyne 1.779 0.023
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.026
CHFClBr fluorochlorobromomethane 1.745 0.027
CFCl chlorofluoromethylene 1.714 0.046