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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CCl4 Carbon tetrachloride 109.5 109.5 -0.0
CHCl3 Chloroform 110.9 111.3 -0.4
CH2Cl2 Methylene chloride 112.2 113.2 -1.0
CF2Cl2 difluorodichloromethane 112.6 111.6 1.0
CF2CCl2 difluorodichloroethylene 119.0 118.0 1.0
CH3CCl2CH3 Propane, 2,2-dichloro- 108.3 108.3 0.0

PBE1PBE/TZVP for aClCCl

Histogram of angle differences (in degrees) vs number of species


Differences greater than 1.2 are in the 1.2 bin. Differences less than -1.2 are in the -1.2 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
-1.2 -1 -0.8 -0.6 -0.4 -0.2 2.22044604925031E-16 0.2 0.4 0.6 0.8 1 1.2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2Cl2 Methylene chloride -1.0
Most positive difference CF2CCl2 difluorodichloroethylene 1.0