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18 10 26 16 45

B3LYP/3-21G* 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 18
histogram chart 16 histogram chart
histogram chart 14 histogram chart
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 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 histogram chart
histogram chart 2 histogram chart histogram chart 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 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 CH2ClCCCl 1,3-dichloropropyne0.008
Most positive difference CFCl chlorofluoromethylene0.117

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH2ClCCCl 1,3-dichloropropyne 1.638 0.008
HCCCl Chloroacetylene 1.637 0.011
ClCN chlorocyanogen 1.629 0.012
C2Cl4 Tetrachloroethylene 1.718 0.017
CHClCCl2 Trichloroethylene 1.714 0.019
CHClCCl2 Trichloroethylene 1.712 0.021
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.717 0.021
CF2CCl2 difluorodichloroethylene 1.706 0.024
C6H4Cl2 1,3-dichlorobenzene 1.736 0.024
CH2ClI chloroiodomethane 1.774 0.028
CHClCCl2 Trichloroethylene 1.720 0.028
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.029
CH2Cl chloromethyl radical 1.691 0.029
C6H4Cl2 1,4-dichlorobenzene 1.729 0.031
CHClCHCl Ethene, 1,2-dichloro-, (E)- 1.718 0.031
C2H3Cl Ethene, chloro- 1.726 0.033
C3H5Cl 1-chloro-1-propene(E) 1.728 0.034
C2Cl2 dichloroacetylene 1.612 0.034
CF3Cl Methane, chlorotrifluoro- 1.752 0.034
CFCl3 Trichloromonofluoromethane 1.764 0.035
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.035
CCl4 Carbon tetrachloride 1.767 0.036
CH3Cl Methyl chloride 1.785 0.037
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.038
CBrCl3 Methane, bromotrichloro- 1.765 0.038
C3H5ClO Oxirane, (chloromethyl)- 1.798 0.038
CHCl3 Chloroform 1.762 0.038
CH2Cl2 Methylene chloride 1.767 0.039
ClCOClCO Oxalyl chloride 1.744 0.040
C6H5Cl chlorobenzene 1.725 0.040
CH2CCl2 Ethene, 1,1-dichloro- 1.710 0.041
CH2ClCHClCH3 Propane, 1,2-dichloro- 1.793 0.041
CH2ClCH2Cl Ethane, 1,2-dichloro- 1.790 0.041
CH2ClCHCl2 1,1,2-trichloroethane 1.776 0.041
CCl2O Phosgene 1.737 0.043
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.043
CH2ClCH2CH3 Propane, 1-chloro- 1.796 0.044
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1.794 0.045
CH3CCl3 Ethane, 1,1,1-trichloro- 1.767 0.049
CH3CH2Cl Ethyl chloride 1.789 0.050
CF2Cl2 difluorodichloromethane 1.744 0.050
CH2BrCl Methane, bromochloro- 1.755 0.051
CH2CHCHClCH3 1-Butene, 3-chloro- 1.813 0.053
CH3CHCl2 Ethane, 1,1-dichloro- 1.766 0.055
CH3CHClCH3 Propane, 2-chloro- 1.798 0.057
CH2ClCH2CH2CH3 Butane, 1-chloro- 1.780 0.058
CHFClBr fluorochlorobromomethane 1.745 0.061
C3H5Cl3 Propane, 1,2,3-trichloro- 1.790 0.062
CH2FCl fluorochloromethane 1.762 0.063
CBrClF2 Methane, bromochlorodifluoro- 1.736 0.063
HCCl Chloromethylene 1.696 0.065
CHF2Cl difluorochloromethane 1.747 0.067
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1.803 0.068
CCl carbon monochloride 1.649 0.071
CH3COCl Acetyl Chloride 1.798 0.071
CH2ClCCCl 1,3-dichloropropyne 1.779 0.071
CCl2 dichloromethylene 1.711 0.076
CH3CHClCH2CH3 Butane, 2-chloro- 1.781 0.076
CFCl chlorofluoromethylene 1.714 0.117