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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 116.1 116.5 -0.4
CH4 Methane 109.5 109.5 -0.0
CH3Br methyl bromide 111.2 111.0 0.2
C2H6 Ethane 108.0 107.7 0.3
C2H4 Ethylene 117.6 116.9 0.7
CH3Cl Methyl chloride 110.8 110.7 0.1
CH3NH2 methyl amine 108.4 108.1 0.3
CH2Br2 dibromomethane 110.9 111.9 -1.0
C2H5Br Ethyl bromide 108.9 108.5 0.4
C2H5Br Ethyl bromide 109.9 109.4 0.5
CH2BrCl Methane, bromochloro- 109.5 112.0 -2.5
CH3CCH propyne 108.3 108.5 -0.2
CH2CHF Ethene, fluoro- 120.1 119.4 0.7
CH3CN Acetonitrile 109.5 109.2 0.3
CH3CHO Acetaldehyde 108.3 110.2 -1.9
CH3CH2SH ethanethiol 106.6 107.4 -0.8
CH3CH2SH ethanethiol 108.9 111.3 -2.4
CH3CH2SH ethanethiol 108.9 107.4 1.5
CH3CH2SH ethanethiol 106.6 107.4 -0.8
CH3CH2SH ethanethiol 108.1 108.0 0.1
CH3CH2SH ethanethiol 109.3 108.0 1.3
CH3CH2SH ethanethiol 106.9 108.1 -1.2
CH2Cl2 Methylene chloride 112.1 111.9 0.2
CH2F2 Methane, difluoro- 112.8 113.5 -0.7
CH3SCH3 Dimethyl sulfide 109.6 108.9 0.7
C2H4O Ethylene oxide 116.8 116.0 0.7
CH3CHF2 Ethane, 1,1-difluoro- 107.9 109.5 -1.6
CH2CHCHO Acrolein 118.0 117.1 0.9
CH2CHCHO Acrolein 120.0 117.1 2.9
CH3CH2CHO Propanal 108.7 108.6 0.1
CH3CH2CHO Propanal 107.0 107.6 -0.6
CH3CH2CHO Propanal 105.0 105.4 -0.4
C2H4S Thiirane 115.8 115.5 0.3
CH2CCH2 allene 118.2 118.2 -0.0
CH2CO Ketene 122.6 121.9 0.6
CH3F Methyl fluoride 110.2 110.1 0.1
C2H4F2 1,2-difluoroethane 110.0 109.8 0.2
CH2CHCH2F Allyl Fluoride 120.0 117.9 2.1
CH2CHCH2F Allyl Fluoride 119.3 120.5 -1.2
H2CS Thioformaldehyde 116.5 116.3 0.2
CH2NH Methanimine 116.9 116.9 0.0
CH2- methylene anion 103.0 102.1 0.9
C3H4 cyclopropene 114.6 113.9 0.6
H2CSe Selenoformaldehyde 117.9 116.7 1.2
CH2Cl chloromethyl radical 122.6 124.1 -1.5
CH2CS Thioketene 120.3 119.7 0.6

CID/daug-cc-pVDZ for aHCH

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


Differences greater than 3.5 are in the 3.5 bin. Differences less than -2.5 are in the -2.5 bin.

histogram chart 14
histogram chart 12 histogram chart
histogram chart 10 histogram chart histogram chart
histogram chart 8 histogram chart histogram chart
histogram chart 6 histogram chart histogram chart
histogram chart 4 histogram chart histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-2.5 -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2BrCl Methane, bromochloro- -2.5
Most positive difference CH2CHCHO Acrolein 2.9