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Compare Angles

18 10 26 16 25

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Species Name Experimental Angle Calculated Angle Difference
CH3F Methyl fluoride 108.7 109.2 -0.4

QCISD(TQ)/cc-pVTZ for aHCF

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


Differences greater than 0.15 are in the 0.15 bin. Differences less than -0.45 are in the -0.45 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.45 -0.4 -0.35 -0.3 -0.25 -0.2 -0.15 -9.99999999999999E-02 -4.99999999999999E-02 5.55111512312578E-17 0.05 0.1 0.15
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3F Methyl fluoride -0.4
Most positive difference CH3F Methyl fluoride -0.4