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18 10 26 16 45

M06-2X/3-21G for rCCl

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


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8 histogram chart
histogram chart 6 histogram chart histogram chart
histogram chart 4 histogram chart histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CCl4 Carbon tetrachloride0.066
Most positive difference CFCl chlorofluoromethylene0.210

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CCl4 Carbon tetrachloride 1.767 0.066
CF2CCl2 difluorodichloroethylene 1.706 0.066
CH2ClCCCl 1,3-dichloropropyne 1.638 0.067
HCCCl Chloroacetylene 1.637 0.068
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.069
C6H4Cl2 1,3-dichlorobenzene 1.736 0.071
CHCl3 Chloroform 1.762 0.073
CBrCl3 Methane, bromotrichloro- 1.765 0.077
C6H4Cl2 1,4-dichlorobenzene 1.729 0.078
CH2Cl2 Methylene chloride 1.767 0.082
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.087
CH2ClCHO chloroacetaldehyde 1.782 0.088
CH3Cl Methyl chloride 1.785 0.093
CH2ClI chloroiodomethane 1.774 0.093
ClCOClCO Oxalyl chloride 1.744 0.094
CF3Cl Methane, chlorotrifluoro- 1.752 0.096
CH3CHClCH3 Propane, 2-chloro- 1.798 0.100
CF2Cl2 difluorodichloromethane 1.744 0.100
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.103
CH2BrCl Methane, bromochloro- 1.755 0.106
CH2ClCCCl 1,3-dichloropropyne 1.779 0.109
CHFClBr fluorochlorobromomethane 1.745 0.119
HCCl Chloromethylene 1.696 0.161
CFCl chlorofluoromethylene 1.714 0.210