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18 10 26 16 45

B97D3/daug-cc-pVTZ for rCCl

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6 histogram chart
histogram chart 4 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
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH2Cl chloromethyl radical0.014
Most positive difference CH3CHClCH3 Propane, 2-chloro-0.047

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH2Cl chloromethyl radical 1.691 0.014
C2H3Cl Ethene, chloro- 1.726 0.018
CH3Cl Methyl chloride 1.785 0.019
CH2ClCHO chloroacetaldehyde 1.782 0.022
CCl4 Carbon tetrachloride 1.767 0.023
CH2Cl2 Methylene chloride 1.767 0.023
CHCl3 Chloroform 1.762 0.024
CH2ClCH2CH3 Propane, 1-chloro- 1.796 0.025
CH2ClCH2Cl Ethane, 1,2-dichloro- 1.790 0.026
CH2BrCl Methane, bromochloro- 1.755 0.026
CH2ClCHCl2 1,1,2-trichloroethane 1.776 0.027
CCl2O Phosgene 1.737 0.028
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.031
CF3Cl Methane, chlorotrifluoro- 1.752 0.032
CH3CH2Cl Ethyl chloride 1.789 0.034
CHFClBr fluorochlorobromomethane 1.745 0.035
CF2Cl2 difluorodichloromethane 1.744 0.044
CH3CHClCH3 Propane, 2-chloro- 1.798 0.047