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18 10 26 16 45

CCSD(T)/6-31G* 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 histogram chart histogram chart
histogram chart 6 histogram chart histogram chart histogram chart
histogram chart 4 histogram chart histogram chart histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart histogram chart histogram chart
histogram chart 0 histogram chart 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 chloride0.004
Most positive difference CFCl chlorofluoromethylene0.045

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3Cl Methyl chloride 1.785 0.004
CF3Cl Methane, chlorotrifluoro- 1.752 0.006
CFCl3 Trichloromonofluoromethane 1.764 0.007
ClCOClCO Oxalyl chloride 1.744 0.010
CHClCCl2 Trichloroethylene 1.714 0.010
CBrCl3 Methane, bromotrichloro- 1.765 0.010
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.717 0.010
CH2ClCHCl2 1,1,2-trichloroethane 1.776 0.011
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.011
CH2Cl2 Methylene chloride 1.767 0.011
CHClCCl2 Trichloroethylene 1.712 0.012
CCl4 Carbon tetrachloride 1.767 0.012
CH3CH2Cl Ethyl chloride 1.789 0.012
CHCl3 Chloroform 1.762 0.013
CHClCCl2 Trichloroethylene 1.720 0.015
CCl2O Phosgene 1.737 0.016
CH2FCl fluorochloromethane 1.762 0.016
C3H5Cl 1-chloro-1-propene(E) 1.728 0.016
C2H3Cl Ethene, chloro- 1.726 0.017
CHClCHCl Ethene, 1,2-dichloro-, (E)- 1.718 0.017
CH3CHClCH3 Propane, 2-chloro- 1.798 0.017
CH2BrCl Methane, bromochloro- 1.755 0.017
CH2ClCCCl 1,3-dichloropropyne 1.638 0.018
CF2CCl2 difluorodichloroethylene 1.706 0.018
HCCl Chloromethylene 1.696 0.019
CHFClBr fluorochlorobromomethane 1.745 0.019
HCCCl Chloroacetylene 1.637 0.020
C6H4Cl2 1,4-dichlorobenzene 1.729 0.020
CF2Cl2 difluorodichloromethane 1.744 0.020
CHF2Cl difluorochloromethane 1.747 0.021
ClCN chlorocyanogen 1.629 0.022
CH3CCl3 Ethane, 1,1,1-trichloro- 1.767 0.022
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.024
CH2ClCCCl 1,3-dichloropropyne 1.779 0.024
CCl2 dichloromethylene 1.711 0.025
CBrClF2 Methane, bromochlorodifluoro- 1.736 0.025
CH2CCl2 Ethene, 1,1-dichloro- 1.710 0.027
CCl carbon monochloride 1.649 0.032
C2Cl2 dichloroacetylene 1.612 0.044
CFCl chlorofluoromethylene 1.714 0.045