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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- 108.9 109.0 -0.1
CHF3 Methane, trifluoro- 110.3 110.4 -0.1

HF/cc-pCVTZ for aHCF

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


Differences greater than 0.02 are in the 0.02 bin. Differences less than -0.1 are in the -0.1 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.1 -0.09 -0.08 -0.07 -0.06 -0.05 -0.04 -0.03 -0.02 -0.01 1.38777878078145E-17 0.01 0.02
Angle difference calc. - exp. (degrees)

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