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Species Name Experimental Angle Calculated Angle Difference
CH3SeH Methane selenol 110.0 109.2 0.8
H2CO Formaldehyde 116.1 114.0 2.1
C4H10O Ethoxy ethane 108.9 109.3 -0.4
C4H10O Ethoxy ethane 108.2 108.4 -0.2
C4H10O Ethoxy ethane 107.6 107.7 -0.1
CH3OH Methyl alcohol 109.0 107.9 1.1
CH3COCH3 Acetone 108.4 109.7 -1.3
CH3SOCH3 Dimethyl sulfoxide 106.6 111.1 -4.5
CH3CCl3 Ethane, 1,1,1-trichloro- 109.5 109.5 -0.0
CH4 Methane 109.5 109.5 -0.0
CH3Br methyl bromide 111.2 111.2 0.0
C2H6 Ethane 108.0 108.0 -0.0
C2H4 Ethylene 117.6 116.4 1.2
CH3Cl Methyl chloride 110.8 112.1 -1.3
CH3I methyl iodide 111.4 111.1 0.3
CH3NH2 methyl amine 108.4 107.7 0.7
CH3SH Methanethiol 110.3 109.9 0.4
CH2Br2 dibromomethane 110.9 112.0 -1.1
C2H5Br Ethyl bromide 108.9 108.6 0.3
C2H5Br Ethyl bromide 109.9 110.0 -0.1
CH2BrCl Methane, bromochloro- 109.5 113.3 -3.8
C3H8 Propane 106.1 107.1 -1.0
C3H8 Propane 107.3 108.3 -1.0
C3H8 Propane 108.1 108.0 0.1
CH3CCH propyne 108.3 108.2 0.1
CH3CH2Cl Ethyl chloride 108.3 108.8 -0.6
CH3CH2Cl Ethyl chloride 109.0 111.0 -2.0
CH2CHF Ethene, fluoro- 120.1 118.7 1.4
C2H5I Ethyl iodide 109.9 109.7 0.1
C2H5I Ethyl iodide 109.3 108.4 0.9
C2H5I Ethyl iodide 107.9 108.6 -0.6
CH3CN Acetonitrile 109.5 108.6 0.9
CH3CHO Acetaldehyde 108.3 110.0 -1.7
CH3CH2SH ethanethiol 106.6 108.8 -2.2
CH3CH2SH ethanethiol 108.9 112.3 -3.4
CH3CH2SH ethanethiol 108.9 108.8 0.1
CH3CH2SH ethanethiol 106.6 108.8 -2.2
CH3CH2SH ethanethiol 108.1 108.1 0.0
CH3CH2SH ethanethiol 109.3 108.1 1.2
CH3CH2SH ethanethiol 106.9 108.4 -1.5
CH2Cl2 Methylene chloride 112.1 114.4 -2.3
CH2F2 Methane, difluoro- 112.8 111.0 1.8
CH2I2 Diiodomethane 111.6 111.1 0.5
CH3SCH3 Dimethyl sulfide 109.6 109.9 -0.3
C3H6 Cyclopropane 114.5 115.1 -0.6
C2H4O Ethylene oxide 116.8 116.2 0.6
CH3CH(CH3)CH3 Isobutane 108.5 108.4 0.1
CH3CH(CH3)CH3 Isobutane 107.9 108.3 -0.4
CH2CCl2 Ethene, 1,1-dichloro- 120.0 118.8 1.2
CH3COCl Acetyl Chloride 108.6 110.5 -1.9
CH3CHF2 Ethane, 1,1-difluoro- 107.9 109.1 -1.2
CH2CF2 Ethene, 1,1-difluoro- 122.0 120.1 1.9
N(CH3)3 Trimethylamine 108.1 108.4 -0.3
N(CH3)3 Trimethylamine 108.6 108.4 0.2
Si(CH3)4 tetramethylsilane 109.8 108.2 1.6
C5H8 1,3-Butadiene, 2-methyl- 109.8 108.6 1.3
CH2CHCH2CH3 1-Butene 105.7 107.6 -1.9
CH2CHCHO Acrolein 118.0 116.7 1.3
CH2CHCHO Acrolein 120.0 116.7 3.3
C3H7SH 1-Propanethiol 108.1 107.7 0.4
C3H7SH 1-Propanethiol 108.9 110.2 -1.3
C2H8N2 Ethylenediamine 112.7 107.1 5.6
CH3OCHO methyl formate 110.7 111.2 -0.5
C6H10O cyclohexanone 106.0 109.1 -3.1
C3H2N2 Malononitrile 106.9 107.6 -0.7
C6H12 Cyclohexane 106.7 107.6 -1.0
C6H10 cyclohexene 105.5 106.7 -1.2
C6H10 cyclohexene 106.9 107.9 -1.0
CH3OCH3 Dimethyl ether 109.2 109.1 0.1
CH3OCH3 Dimethyl ether 108.0 108.1 -0.1
CH2C(CH3)CH3 1-Propene, 2-methyl- 118.5 116.8 1.7
C5H8O Cyclopentanone 110.0 108.1 1.9
C7H8 Norbornadiene 112.0 112.2 -0.2
CH3CH2CHO Propanal 108.7 108.9 -0.2
CH3CH2CHO Propanal 107.0 107.5 -0.5
CH3CH2CHO Propanal 105.0 106.1 -1.1
C4H9N Pyrrolidine 106.0 109.0 -3.0
CH3NHCH3 Dimethylamine 109.0 107.9 1.1
CH3NHCH3 Dimethylamine 109.0 108.5 0.5
CH3NHCH3 Dimethylamine 107.2 107.6 -0.4
C4H8O2 Ethyl acetate 108.1 108.1 0.0
C5H10O 2H-Pyran, tetrahydro- 109.4 107.8 1.6
C2H5N Aziridine 115.7 115.6 0.1
CH2N2 diazirine 117.0 121.5 -4.5
CH2O2 Dioxirane 117.3 117.2 0.1
C5H8 Spiropentane 113.7 115.7 -2.0
C5H8 Bicyclo[1.1.1]pentane 111.7 112.9 -1.2
CH2NN diazomethane 126.0 122.6 3.4
C2H5F fluoroethane 108.8 108.4 0.4
C2H5F fluoroethane 108.9 108.5 0.4
C2H5F fluoroethane 108.7 108.9 -0.2
CH2BrF Methane, bromofluoro- 112.0 112.3 -0.3
CH2FI fluoroiodomethane 113.0 112.1 0.9
C2H4S Thiirane 115.8 116.5 -0.7
CH3CF3 Ethane, 1,1,1-trifluoro- 106.8 109.4 -2.6
CH2CCH2 allene 118.2 117.1 1.1
CH2CO Ketene 122.6 119.3 3.2
C5H12 Propane, 2,2-dimethyl- 106.6 108.4 -1.8
C6H6 Fulvene 117.0 117.0 0.0
CH3CCCH3 2-Butyne 108.2 110.9 -2.6
CH3OC2H5 Ethane, methoxy- 108.6 108.1 0.4
CH3OC2H5 Ethane, methoxy- 107.4 107.7 -0.3
CH3OC2H5 Ethane, methoxy- 108.6 108.5 0.2
CH3COF Acetyl fluoride 110.9 110.3 0.6
C5H10O 2-Butanone, 3-methyl- 108.7 107.0 1.7
CH3F Methyl fluoride 110.2 108.6 1.6
CH2FCl fluorochloromethane 110.4 113.5 -3.1
CH2ClI chloroiodomethane 111.0 112.7 -1.7
CH3NC methyl isocyanide 109.4 109.2 0.2
CH3OCl methyl hypochlorite 110.5 109.9 0.6
CH3OCl methyl hypochlorite 108.3 110.3 -2.0
CH3SeCH3 dimethylselenide 110.3 110.3 0.0
CH3CCl2CH3 Propane, 2,2-dichloro- 107.2 109.1 -1.9
C2H4F2 1,2-difluoroethane 110.0 109.1 0.9
C2H4F2 1,2-difluoroethane 109.1 109.2 -0.1
CH3SCH2CH3 Ethane, (methylthio)- 108.4 109.7 -1.3
CH3SCH2CH3 Ethane, (methylthio)- 109.5 110.9 -1.4
CH3SCH2CH3 Ethane, (methylthio)- 109.5 109.9 -0.4
CH3SCH2CH3 Ethane, (methylthio)- 108.2 108.5 -0.3
CH3SCH2CH3 Ethane, (methylthio)- 108.6 108.6 0.0
CH3ONO Methyl nitrite 108.1 108.8 -0.7
CH3ONO Methyl nitrite 113.4 111.1 2.4
C5H12O Butane, 1-methoxy- 108.2 108.3 -0.1
C5H12O Butane, 1-methoxy- 109.7 109.1 0.6
C6H8 Bicyclo[3.1.0]hex-2-ene 116.7 115.9 0.8
C3H7N Cyclopropylamine 116.2 116.7 -0.5
CH2CHCH2F Allyl Fluoride 120.0 118.0 1.9
CH2CHCH2F Allyl Fluoride 119.3 122.6 -3.3
C4H6 Cyclobutene 109.2 110.6 -1.4
H2CS Thioformaldehyde 116.5 116.8 -0.3
CH3NO nitrosomethane 109.3 108.4 0.9
CH2ClCCCl 1,3-dichloropropyne 99.0 111.1 -12.2
C5H4O2 4-Cyclopentene-1,3-dione 113.2 108.1 5.1
CH3SiH3 methyl silane 108.0 108.4 -0.4
SiH2(CH3)2 dimethylsilane 107.8 108.3 -0.5
SiH2(CH3)2 dimethylsilane 108.1 108.3 -0.3
C5H8 Cyclobutane, methylene- 106.0 110.0 -4.0
C4H6O Cyclobutanone 105.9 109.8 -3.9
GeH3CH3 methyl germane 108.4 108.1 0.3
C5H10S 2H-Thiopyran, tetrahydro- 105.7 107.3 -1.6
C4H6O Furan, 2,5-dihydro- 107.1 108.6 -1.5
C4H6S Thiophene, 2,5-dihydro- 109.8 109.7 0.1
CH2NH Methanimine 116.9 115.0 1.9
CH3O Methoxy radical 107.6 107.1 0.5
CH3CH2O Ethoxy radical 108.1 110.7 -2.6
CH3CH2O Ethoxy radical 106.5 105.4 1.1
CH3 Methyl radical 120.0 120.0 0.0
CH2- methylene anion 103.0 95.8 7.2
CH2 Methylene 135.5 132.7 2.8
CH2 Methylene 102.4 132.7 -30.3
C3H4 cyclopropene 114.6 115.1 -0.5
C3H4O Cyclopropanone 114.1 115.3 -1.2
C4H5N Cyclopropanecarbonitrile 114.6 115.9 -1.3
C4H6 Methylenecyclopropane 114.3 117.1 -2.8
C4H6 Methylenecyclopropane 113.5 115.4 -1.9
H2CSe Selenoformaldehyde 117.9 116.2 1.7
C5H6 Cyclopropylacetylene 114.6 115.8 -1.2
CH2Cl chloromethyl radical 122.6 126.9 -4.3
CH3S thiomethoxy 108.9 109.2 -0.3
CH2CS Thioketene 120.3 118.1 2.2
C5H6 Propellane 116.0 116.1 -0.1
CH2PH Phosphaethene 117.2 116.1 1.1
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