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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 116.1 115.1 1.0
CH3OH Methyl alcohol 109.0 107.1 1.9
CH3Br methyl bromide 111.2 110.6 0.5
C2H6 Ethane 108.0 107.2 0.8
CH3Cl Methyl chloride 110.8 109.8 0.9
CH3SH Methanethiol 110.3 108.5 1.8
CH2Br2 dibromomethane 110.9 112.2 -1.3
C2H5Br Ethyl bromide 108.9 108.3 0.6
C2H5Br Ethyl bromide 109.9 109.0 0.9
CH2BrCl Methane, bromochloro- 109.5 111.5 -2.0
C3H8 Propane 106.1 105.6 0.5
C3H8 Propane 107.3 107.7 -0.4
C3H8 Propane 108.1 107.0 1.1
CH3CCH propyne 108.3 107.4 0.9
CH3CN Acetonitrile 109.5 108.3 1.2
CH3CHO Acetaldehyde 108.3 110.3 -2.0
CH3CH2SH ethanethiol 106.6 106.6 -0.0
CH3CH2SH ethanethiol 108.9 111.7 -2.8
CH3CH2SH ethanethiol 108.9 106.6 2.3
CH3CH2SH ethanethiol 106.6 106.6 -0.0
CH3CH2SH ethanethiol 108.1 107.6 0.5
CH3CH2SH ethanethiol 109.3 107.6 1.8
CH3CH2SH ethanethiol 106.9 107.5 -0.6
CH3SCH3 Dimethyl sulfide 109.6 108.5 1.1
CH2CHCH2CH3 1-Butene 105.7 106.3 -0.6
C5H8O Cyclopentanone 110.0 106.5 3.5
C4H8O2 Ethyl acetate 108.1 106.1 2.0
CH2BrF Methane, bromofluoro- 112.0 112.1 -0.1
C2H4S Thiirane 115.8 114.9 0.9
CH3CF3 Ethane, 1,1,1-trifluoro- 106.8 109.3 -2.5
CH2CCH2 allene 118.2 117.3 0.9
CH2CO Ketene 122.6 120.3 2.3
C5H12 Propane, 2,2-dimethyl- 106.6 107.8 -1.2
C6H6 Fulvene 117.0 117.3 -0.3
CH3CCCH3 2-Butyne 108.2 111.7 -3.5
CH3OC2H5 Ethane, methoxy- 108.6 107.3 1.3
CH3OC2H5 Ethane, methoxy- 107.4 106.1 1.3
CH3OC2H5 Ethane, methoxy- 108.6 108.0 0.6
CH3COF Acetyl fluoride 110.9 110.2 0.6
C5H10O 2-Butanone, 3-methyl- 108.7 109.3 -0.6
CH3F Methyl fluoride 110.2 108.5 1.7
CH2FCl fluorochloromethane 110.4 111.4 -1.0
CH3NC methyl isocyanide 109.4 108.4 1.0
CH3OCl methyl hypochlorite 110.5 109.2 1.3
CH3OCl methyl hypochlorite 108.3 109.4 -1.1
CH3SeCH3 dimethylselenide 110.3 110.6 -0.3
CH3CCl2CH3 Propane, 2,2-dichloro- 107.2 108.9 -1.7
CH3SCH2CH3 Ethane, (methylthio)- 108.4 107.5 0.9
CH3SCH2CH3 Ethane, (methylthio)- 109.5 109.3 0.2
CH3SCH2CH3 Ethane, (methylthio)- 109.5 108.4 1.1
CH3SCH2CH3 Ethane, (methylthio)- 108.2 107.9 0.3
CH3SCH2CH3 Ethane, (methylthio)- 108.6 107.7 0.9
CH3ONO Methyl nitrite 108.1 107.5 0.6
CH3ONO Methyl nitrite 113.4 111.1 2.3
C5H12O Butane, 1-methoxy- 108.2 107.7 0.5
C5H12O Butane, 1-methoxy- 109.7 108.6 1.1
CH2FCH2CH3 1-Fluoropropane 108.5 107.2 1.3
CH2FCH2CH3 1-Fluoropropane 107.7 107.5 0.2
CH2FCH2CH3 1-Fluoropropane 107.3 106.5 0.8
CH2FCH2CH3 1-Fluoropropane 109.0 107.4 1.6
C6H8 Bicyclo[3.1.0]hex-2-ene 116.7 115.0 1.7
C3H7N Cyclopropylamine 116.2 115.5 0.7
C4H6 Cyclobutene 109.2 108.1 1.1
H2CS Thioformaldehyde 116.5 115.7 0.9
CH3NO nitrosomethane 109.3 106.1 3.2
C5H4O2 4-Cyclopentene-1,3-dione 113.2 106.4 6.8
CH3SiH3 methyl silane 108.0 108.1 -0.1
SiH2(CH3)2 dimethylsilane 107.8 107.9 -0.1
SiH2(CH3)2 dimethylsilane 108.1 107.9 0.1
C5H8 Cyclobutane, methylene- 106.0 108.2 -2.2
C4H6O Cyclobutanone 105.9 107.8 -1.9
GeH3CH3 methyl germane 108.4 108.8 -0.4
C5H10S 2H-Thiopyran, tetrahydro- 105.7 106.2 -0.5
C4H6O Furan, 2,5-dihydro- 107.1 106.3 0.8
C4H6S Thiophene, 2,5-dihydro- 109.8 107.1 2.7
CH2NH Methanimine 116.9 115.5 1.4
CH3CH2O Ethoxy radical 108.1 111.7 -3.6
CH3CH2O Ethoxy radical 106.5 97.1 9.4
CH3 Methyl radical 120.0 120.0 0.0
CH2 Methylene 135.5 134.8 0.7
CH2 Methylene 102.4 134.8 -32.5
C3H4O Cyclopropanone 114.1 113.9 0.2
C4H5N Cyclopropanecarbonitrile 114.6 114.9 -0.3
C3H4O Methylketene 109.9 107.3 2.6
C4H6 Methylenecyclopropane 114.3 117.4 -3.1
C4H6 Methylenecyclopropane 113.5 113.7 -0.2
C5H6 Cyclopropylacetylene 114.6 114.9 -0.3
CH2Cl chloromethyl radical 122.6 124.1 -1.5
C5H6 Propellane 116.0 115.3 0.7
CH2PH Phosphaethene 117.2 115.6 1.6

LSDA/6-31G** for aHCH

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


Differences greater than 25 are in the 25 bin. Differences less than -35 are in the -35 bin.

histogram chart 80
histogram chart 70 histogram chart
histogram chart 60 histogram chart
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 histogram chart
-35 -30 -25 -20 -15 -10 -5 0 5 10 15 20 25
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2 Methylene -32.5
Most positive difference CH3CH2O Ethoxy radical 9.4