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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
H2CO Formaldehyde 116.1 116.4 -0.2
CH3Cl Methyl chloride 110.8 110.6 0.2
CH2F2 Methane, difluoro- 112.8 113.6 -0.8

B2PLYP=FULL/aug-cc-pCVTZ for aHCH

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


Differences greater than 0.4 are in the 0.4 bin. Differences less than -0.8 are in the -0.8 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
-0.8 -0.7 -0.6 -0.5 -0.4 -0.3 -0.2 -9.99999999999999E-02 1.11022302462516E-16 0.1 0.2 0.3 0.4
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2F2 Methane, difluoro- -0.8
Most positive difference CH3Cl Methyl chloride 0.2