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18 10 26 16 45

B3PW91/6-31G** for rCCl

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 25
histogram chart 20 histogram chart
histogram chart 15 histogram chart
histogram chart 10 histogram chart histogram chart histogram chart
histogram chart 5 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
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C2Cl4 Tetrachloroethylene0.002
Most positive difference CFCl chlorofluoromethylene0.061

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C2Cl4 Tetrachloroethylene 1.718 0.002
CH3Cl Methyl chloride 1.785 0.002
CH2ClCCCl 1,3-dichloropropyne 1.638 0.003
C3H5ClO Oxirane, (chloromethyl)- 1.798 0.003
CHClCCl2 Trichloroethylene 1.714 0.003
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.717 0.004
CH2ClCHO chloroacetaldehyde 1.782 0.005
HCCCl Chloroacetylene 1.637 0.005
CHClCCl2 Trichloroethylene 1.712 0.006
ClCN chlorocyanogen 1.629 0.008
CH2ClCH2CH3 Propane, 1-chloro- 1.796 0.008
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.008
C6H4Cl2 1,3-dichlorobenzene 1.736 0.009
CH2ClCH2Cl Ethane, 1,2-dichloro- 1.790 0.009
CH2ClCHClCH3 Propane, 1,2-dichloro- 1.793 0.009
CHClCCl2 Trichloroethylene 1.720 0.011
CH2Cl2 Methylene chloride 1.767 0.011
CBrCl3 Methane, bromotrichloro- 1.765 0.011
CH2ClCHCl2 1,1,2-trichloroethane 1.776 0.012
CHClCHCl Ethene, 1,2-dichloro-, (E)- 1.718 0.012
C2H3Cl Ethene, chloro- 1.726 0.012
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1.794 0.013
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.013
CH2Cl chloromethyl radical 1.691 0.013
ClCOClCO Oxalyl chloride 1.744 0.013
C3H5Cl 1-chloro-1-propene(E) 1.728 0.013
CFCl3 Trichloromonofluoromethane 1.764 0.013
CCl4 Carbon tetrachloride 1.767 0.014
CHCl3 Chloroform 1.762 0.014
CF2CCl2 difluorodichloroethylene 1.706 0.014
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.015
C6H4Cl2 1,4-dichlorobenzene 1.729 0.015
CCl2O Phosgene 1.737 0.016
CH2BrCl Methane, bromochloro- 1.755 0.016
CH3CH2Cl Ethyl chloride 1.789 0.017
HCCl Chloromethylene 1.696 0.017
CH3COCl Acetyl Chloride 1.798 0.019
CF3Cl Methane, chlorotrifluoro- 1.752 0.020
CH2CHCHClCH3 1-Butene, 3-chloro- 1.813 0.020
C6H5Cl chlorobenzene 1.725 0.023
CH2CCl2 Ethene, 1,1-dichloro- 1.710 0.023
CH2ClCH2CH2CH3 Butane, 1-chloro- 1.780 0.025
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.025
CHFClBr fluorochlorobromomethane 1.745 0.026
CH2FCl fluorochloromethane 1.762 0.026
CH3CHClCH3 Propane, 2-chloro- 1.798 0.026
CH3CCl3 Ethane, 1,1,1-trichloro- 1.767 0.026
CCl2 dichloromethylene 1.711 0.028
CH3CHCl2 Ethane, 1,1-dichloro- 1.766 0.029
C2Cl2 dichloroacetylene 1.612 0.029
C3H5Cl3 Propane, 1,2,3-trichloro- 1.790 0.030
CCl carbon monochloride 1.649 0.030
CF2Cl2 difluorodichloromethane 1.744 0.031
CH2ClCCCl 1,3-dichloropropyne 1.779 0.035
CBrClF2 Methane, bromochlorodifluoro- 1.736 0.036
CHF2Cl difluorochloromethane 1.747 0.037
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1.803 0.042
CH3CHClCH2CH3 Butane, 2-chloro- 1.781 0.046
CFCl chlorofluoromethylene 1.714 0.061