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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2CHF Ethene, fluoro- 110.0 112.2 -2.2
CH2F2 Methane, difluoro- 108.9 108.8 0.1
CHF3 Methane, trifluoro- 110.3 110.5 -0.2
CH3F Methyl fluoride 108.7 108.8 -0.0
C2H4F2 1,2-difluoroethane 108.2 108.6 -0.4

CCSD(T)/aug-cc-pVQZ for aHCF

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


Differences greater than 0.200000000000001 are in the 0.200000000000001 bin. Differences less than -2.2 are in the -2.2 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 histogram chart
-2.2 -2 -1.8 -1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 4.44089209850063E-16 0.200000000000001
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2CHF Ethene, fluoro- -2.2
Most positive difference CH2F2 Methane, difluoro- 0.1