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18 10 26 16 45

B2PLYP/6-31G 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 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 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 CF3Cl Methane, chlorotrifluoro-0.074
Most positive difference CFCl chlorofluoromethylene0.176

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF3Cl Methane, chlorotrifluoro- 1.752 0.074
CF2CCl2 difluorodichloroethylene 1.706 0.081
CH2ClCCCl 1,3-dichloropropyne 1.638 0.082
CCl4 Carbon tetrachloride 1.767 0.084
HCCCl Chloroacetylene 1.637 0.085
CH2Cl2 Methylene chloride 1.767 0.088
C6H4Cl2 1,3-dichlorobenzene 1.736 0.091
CF2Cl2 difluorodichloromethane 1.744 0.092
CH3Cl Methyl chloride 1.785 0.094
C6H4Cl2 1,4-dichlorobenzene 1.729 0.098
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.098
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.099
CH2BrCl Methane, bromochloro- 1.755 0.102
CHFClBr fluorochlorobromomethane 1.745 0.103
ClCOClCO Oxalyl chloride 1.744 0.104
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.104
CH3CHClCH3 Propane, 2-chloro- 1.798 0.127
CH2ClCCCl 1,3-dichloropropyne 1.779 0.133
CFCl chlorofluoromethylene 1.714 0.176