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18 10 26 16 25

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Species Name Experimental Angle Calculated Angle Difference
C2H6 Ethane 110.9 111.7 -0.8
C2H4 Ethylene 121.2 121.6 -0.4
C2H2 Acetylene 180.0 180.0 0.0
C3H8 Propane 111.8 112.4 -0.6
C3H8 Propane 110.6 110.9 -0.3
C3H8 Propane 109.5 109.7 -0.2
CH3CN Acetonitrile 109.4 110.5 -1.0
CH3CH2SH ethanethiol 110.2 103.9 6.3
CH3CH2SH ethanethiol 109.7 111.1 -1.4
CH3CH2SH ethanethiol 110.6 110.9 -0.3
C3H6 Cyclopropane 117.9 118.1 -0.2
C6H4Cl2 1,4-dichlorobenzene 120.0 120.7 -0.7
CH2ClCH2Cl Ethane, 1,2-dichloro- 113.2 111.9 1.3
C3H6O 2-Propen-1-ol 122.0 121.9 0.1
C3H6O 2-Propen-1-ol 119.8 120.8 -1.0
C3H6O 2-Propen-1-ol 121.0 120.7 0.3
C3H6O 2-Propen-1-ol 107.7 109.4 -1.7
C3H6O 2-Propen-1-ol 108.0 108.9 -0.9
C4H8O2 Ethyl acetate 107.7 109.6 -1.9
C4H8O2 Ethyl acetate 108.1 110.1 -2.0
C3H3NO Oxazole 129.1 129.1 0.0
C3H3NO Oxazole 135.0 135.4 -0.4
CH3CHFCH3 2-Fluoropropane 110.0 110.9 -0.8
CH3CHFCH3 2-Fluoropropane 109.5 109.9 -0.5
CH3CHFCH3 2-Fluoropropane 110.5 110.5 -0.0
CH3CHFCH3 2-Fluoropropane 110.2 110.4 -0.2
CH3OC2H5 Ethane, methoxy- 110.3 111.0 -0.8
CH3OC2H5 Ethane, methoxy- 110.5 110.7 -0.2
CH3OC2H5 Ethane, methoxy- 110.1 110.5 -0.4
C3H5 Allyl radical 120.9 121.7 -0.8
C3H5 Allyl radical 117.7 117.7 -0.0
C2H Ethynyl radical 180.0 180.0 0.0
CH3CH2O Ethoxy radical 110.8 111.4 -0.6
C2H2ClF 1-chloro-1-fluoroethylene 119.2 120.4 -1.2
C2H2ClF 1-chloro-1-fluoroethylene 119.3 122.9 -3.6
C2H3 vinyl 137.3 139.9 -2.6
C2H3 vinyl 121.5 121.9 -0.4
C5H6 Propellane 116.9 117.1 -0.2
CH2FCH2CH3 1-Fluoropropane 111.0 111.3 -0.3
CH2FCH2CH3 1-Fluoropropane 111.4 111.6 -0.2
CH2FCH2CH3 1-Fluoropropane 110.4 110.8 -0.4
CH2FCH2CH3 1-Fluoropropane 109.0 108.8 0.2
CH2FCH2CH3 1-Fluoropropane 111.6 111.0 0.6
C4H8 cyclobutane 130.7 110.8 20.0
C4H8 cyclobutane 119.9 118.7 1.2
CH2CHCH2CH3 1-Butene 110.3 110.9 -0.6
CH2CHCH2CH3 1-Butene 117.1 115.8 1.3
CH3CH2CH2CH3 Butane 111.0 109.0 2.0
CH3CHClCH3 Propane, 2-chloro- 109.7 109.7 0.0
CH3CHClCH3 Propane, 2-chloro- 110.9 111.7 -0.8
CH3CHClCH3 Propane, 2-chloro- 109.9 110.7 -0.8
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