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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 110.9 111.1 -0.2
CH2Cl2 Methylene chloride 112.2 112.7 -0.5
CH3CHCl2 Ethane, 1,1-dichloro- 112.0 110.1 1.9
CH2CCl2 Ethene, 1,1-dichloro- 114.5 114.1 0.4
CCl2O Phosgene 111.9 111.9 0.0
CBrCl3 Methane, bromotrichloro- 109.7 109.6 0.1
CF2Cl2 difluorodichloromethane 112.6 111.9 0.6
CF2CCl2 difluorodichloroethylene 119.0 117.7 1.3
CH3CCl2CH3 Propane, 2,2-dichloro- 108.3 107.7 0.6
CCl2 dichloromethylene 109.2 109.2 0.0

B3LYP/aug-cc-pVDZ for aClCCl

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


Differences greater than 5.5 are in the 5.5 bin. Differences less than -0.5 are in the -0.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.5 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 5 5.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2Cl2 Methylene chloride -0.5
Most positive difference CH3CHCl2 Ethane, 1,1-dichloro- 1.9