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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 116.1 116.2 -0.1
CH4 Methane 109.5 109.5 -0.0
C2H6 Ethane 108.0 107.8 0.2
C2H4 Ethylene 117.6 116.0 1.6
C3H6 Cyclopropane 114.5 113.6 0.9

CCSD/6-31G for aHCH

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


Differences greater than 2.2 are in the 2.2 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 histogram chart histogram chart histogram chart
-0.2 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2 2.2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference H2CO Formaldehyde -0.1
Most positive difference C2H4 Ethylene 1.6