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18 10 26 16 45

PBEPBE/Sadlej_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 4
histogram chart 2
histogram chart 0 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 CH3Cl Methyl chloride0.016
Most positive difference CF2Cl2 difluorodichloromethane0.048

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3Cl Methyl chloride 1.785 0.016
CH2Cl2 Methylene chloride 1.767 0.025
CCl4 Carbon tetrachloride 1.767 0.029
CFCl3 Trichloromonofluoromethane 1.764 0.030
CF3Cl Methane, chlorotrifluoro- 1.752 0.036
CF2Cl2 difluorodichloromethane 1.744 0.048