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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 116.1 115.9 0.2
C2H6 Ethane 108.0 107.7 0.3
C2H4 Ethylene 117.6 116.7 0.9
CH3Cl Methyl chloride 110.8 110.6 0.2
CH3SH Methanethiol 110.3 108.9 1.4
CH3CH2SH ethanethiol 106.6 107.2 -0.6
CH3CH2SH ethanethiol 108.9 111.1 -2.2
CH3CH2SH ethanethiol 108.9 107.2 1.7
CH3CH2SH ethanethiol 106.6 107.2 -0.6
CH3CH2SH ethanethiol 108.1 107.9 0.2
CH3CH2SH ethanethiol 109.3 107.9 1.4
CH3CH2SH ethanethiol 106.9 108.0 -1.1
CH2F2 Methane, difluoro- 112.8 112.6 0.2
C2H4O Ethylene oxide 116.8 115.3 1.4
CH2NN diazomethane 126.0 125.0 1.0
CH2CCH2 allene 118.2 118.1 0.1
H2CS Thioformaldehyde 116.5 115.8 0.8
CH3 Methyl radical 120.0 120.0 -0.0
CH2 Methylene 135.5 131.8 3.7
CH2 Methylene 102.4 131.8 -29.4
CH2Cl chloromethyl radical 122.6 124.4 -1.8

HF/cc-pCVTZ for aHCH

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


Differences greater than 30 are in the 30 bin. Differences less than -30 are in the -30 bin.

histogram chart 20
histogram chart 15 histogram chart
histogram chart 10 histogram chart
histogram chart 5 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-30 -25 -20 -15 -10 -5 0 5 10 15 20 25 30
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2 Methylene -29.4
Most positive difference CH2 Methylene 3.7