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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2F2 Methane, difluoro- 108.9 108.8 0.1
CHF3 Methane, trifluoro- 110.3 110.5 -0.2

M06-2X/cc-pCVTZ for aHCF

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


Differences greater than 0.4 are in the 0.4 bin. Differences less than -0.2 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
-0.2 -0.15 -0.1 -0.05 0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CHF3 Methane, trifluoro- -0.2
Most positive difference CH2F2 Methane, difluoro- 0.1