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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3CHClCH3 Propane, 2-chloro- 109.4 108.9 0.5
CF2CCl2 difluorodichloroethylene 120.5 120.7 -0.2
ClCOClCO Oxalyl chloride 111.7 110.9 0.8
C6H4Cl2 1,3-dichlorobenzene 118.9 118.9 -0.0
C2H2ClF 1-chloro-1-fluoroethylene 126.3 125.4 0.8

LSDA/aug-cc-pVTZ for aCCCl

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


Differences greater than 1 are in the 1 bin. Differences less than -0.2 are in the -0.2 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
-0.2 -0.1 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CF2CCl2 difluorodichloroethylene -0.2
Most positive difference C2H2ClF 1-chloro-1-fluoroethylene 0.8