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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH4 Methane 109.5 109.5 -0.0
CH3Br methyl bromide 111.2 110.7 0.4
CH3NH2 methyl amine 108.4 107.7 0.7
CH3SH Methanethiol 110.3 108.7 1.6
CH2Br2 dibromomethane 110.9 111.7 -0.8
C2H5Br Ethyl bromide 108.9 108.6 0.3
C2H5Br Ethyl bromide 109.9 109.1 0.8
CH2BrCl Methane, bromochloro- 109.5 111.4 -1.9
CH3CCH propyne 108.3 108.3 -0.0
CH2CHF Ethene, fluoro- 120.1 119.6 0.5
CH3CN Acetonitrile 109.5 109.1 0.4
CH3CHO Acetaldehyde 108.3 110.2 -1.9
CH3CH2SH ethanethiol 106.6 107.2 -0.6
CH3CH2SH ethanethiol 108.9 111.2 -2.3
CH3CH2SH ethanethiol 108.9 107.2 1.7
CH3CH2SH ethanethiol 106.6 107.2 -0.6
CH3CH2SH ethanethiol 108.1 108.0 0.1
CH3CH2SH ethanethiol 109.3 108.0 1.3
CH3CH2SH ethanethiol 106.9 108.0 -1.1
CH2Cl2 Methylene chloride 112.1 111.3 0.8
CH2F2 Methane, difluoro- 112.8 112.3 0.5
CH3SCH3 Dimethyl sulfide 109.6 108.8 0.8
C2H4O Ethylene oxide 116.8 115.6 1.2
CH3CHF2 Ethane, 1,1-difluoro- 107.9 109.3 -1.4
CH2CHCH2CH3 1-Butene 105.7 106.8 -1.1
CH2CHCHO Acrolein 118.0 117.2 0.8
CH2CHCHO Acrolein 120.0 117.2 2.8
C5H8O Cyclopentanone 110.0 107.6 2.4
CH3CH2CHO Propanal 108.7 108.6 0.1
CH3CH2CHO Propanal 107.0 107.4 -0.4
CH3CH2CHO Propanal 105.0 105.3 -0.3
C4H8O2 Ethyl acetate 108.1 107.5 0.6
C5H8 Bicyclo[1.1.1]pentane 111.7 111.8 -0.1
CH2BrF Methane, bromofluoro- 112.0 112.3 -0.3
C2H4S Thiirane 115.8 115.0 0.8
CH2CCH2 allene 118.2 118.0 0.2
CH2CO Ketene 122.6 121.8 0.8
CH3OC2H5 Ethane, methoxy- 108.6 108.0 0.6
CH3OC2H5 Ethane, methoxy- 107.4 107.0 0.4
CH3OC2H5 Ethane, methoxy- 108.6 108.4 0.2
CH3F Methyl fluoride 110.2 109.4 0.8
CH3SeCH3 dimethylselenide 110.3 110.1 0.2
C2H4F2 1,2-difluoroethane 110.0 110.1 -0.1
C2H4F2 1,2-difluoroethane 109.1 109.4 -0.3
CH2CHCH2F Allyl Fluoride 120.0 118.1 1.9
CH2CHCH2F Allyl Fluoride 119.3 120.9 -1.6
H2CS Thioformaldehyde 116.5 115.6 0.9
CH3NO nitrosomethane 109.3 108.0 1.3
CH2ClCCCl 1,3-dichloropropyne 99.0 109.1 -10.1
CH2NH Methanimine 116.9 116.1 0.8
CH3 Methyl radical 120.0 120.0 -0.0
CH2 Methylene 135.5 132.2 3.3
CH2 Methylene 102.4 132.2 -29.8
C3H4 cyclopropene 114.6 113.9 0.7
H2CSe Selenoformaldehyde 117.9 116.1 1.9
CH2Cl chloromethyl radical 122.6 123.0 -0.4
CH2CS Thioketene 120.3 119.5 0.8
C5H6 Propellane 116.0 115.3 0.7

QCISD(T)=FULL/cc-pVDZ 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 60
histogram chart 50 histogram chart
histogram chart 40 histogram chart
histogram chart 30 histogram chart
histogram chart 20 histogram chart
histogram chart 10 histogram chart
histogram chart 0 histogram chart 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 -29.8
Most positive difference CH2 Methylene 3.3