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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 116.1 116.6 -0.5

QCISD(TQ)=FULL/daug-cc-pVTZ for aHCH

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


Differences greater than 0.1 are in the 0.1 bin. Differences less than -0.5 are in the -0.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.5 -0.45 -0.4 -0.35 -0.3 -0.25 -0.2 -0.15 -9.99999999999999E-02 -4.99999999999999E-02 5.55111512312578E-17 5.00000000000001E-02 0.1
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference H2CO Formaldehyde -0.5
Most positive difference H2CO Formaldehyde -0.5