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18 10 26 16 45

B3LYP/CEP-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 5 histogram chart histogram chart histogram chart histogram chart
histogram chart 0 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 Tetrachloroethylene0.028
Most positive difference CFCl chlorofluoromethylene0.081

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C2Cl4 Tetrachloroethylene 1.718 0.028
CH2ClCCCl 1,3-dichloropropyne 1.638 0.029
HCCCl Chloroacetylene 1.637 0.031
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.717 0.031
CHClCCl2 Trichloroethylene 1.712 0.032
CHClCCl2 Trichloroethylene 1.714 0.032
ClCN chlorocyanogen 1.629 0.034
C6H4Cl2 1,3-dichlorobenzene 1.736 0.036
C3H5ClO Oxirane, (chloromethyl)- 1.798 0.036
CHClCCl2 Trichloroethylene 1.720 0.037
ClCOClCO Oxalyl chloride 1.744 0.037
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.038
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.038
CFCl3 Trichloromonofluoromethane 1.764 0.038
CH3Cl Methyl chloride 1.785 0.039
CH2ClCHO chloroacetaldehyde 1.782 0.039
CF2CCl2 difluorodichloroethylene 1.706 0.039
CCl4 Carbon tetrachloride 1.767 0.039
CF3Cl Methane, chlorotrifluoro- 1.752 0.040
CHCl3 Chloroform 1.762 0.041
CH2Cl2 Methylene chloride 1.767 0.041
C2H3Cl Ethene, chloro- 1.726 0.041
CHClCHCl Ethene, 1,2-dichloro-, (E)- 1.718 0.042
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.042
C3H5Cl 1-chloro-1-propene(E) 1.728 0.043
C6H4Cl2 1,4-dichlorobenzene 1.729 0.043
CCl2O Phosgene 1.737 0.043
CH2ClCH2CH3 Propane, 1-chloro- 1.796 0.043
CH2ClCH2Cl Ethane, 1,2-dichloro- 1.790 0.043
CH2ClCHClCH3 Propane, 1,2-dichloro- 1.793 0.044
CH3COCl Acetyl Chloride 1.798 0.044
CH2ClCHCl2 1,1,2-trichloroethane 1.776 0.045
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.046
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1.794 0.047
CH2CCl2 Ethene, 1,1-dichloro- 1.710 0.049
C6H5Cl chlorobenzene 1.725 0.050
CH3CH2Cl Ethyl chloride 1.789 0.051
CH2FCl fluorochloromethane 1.762 0.051
HCCl Chloromethylene 1.696 0.051
CH3CCl3 Ethane, 1,1,1-trichloro- 1.767 0.052
CF2Cl2 difluorodichloromethane 1.744 0.054
CH2CHCHClCH3 1-Butene, 3-chloro- 1.813 0.054
C2Cl2 dichloroacetylene 1.612 0.055
CHF2Cl difluorochloromethane 1.747 0.056
CH3CHCl2 Ethane, 1,1-dichloro- 1.766 0.058
CCl2 dichloromethylene 1.711 0.058
CH3CHClCH3 Propane, 2-chloro- 1.798 0.059
CH2ClCH2CH2CH3 Butane, 1-chloro- 1.780 0.060
CCl carbon monochloride 1.649 0.062
C3H5Cl3 Propane, 1,2,3-trichloro- 1.790 0.064
CH2ClCCCl 1,3-dichloropropyne 1.779 0.065
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1.803 0.072
CH3CHClCH2CH3 Butane, 2-chloro- 1.781 0.079
CFCl chlorofluoromethylene 1.714 0.081