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Comparison of Barriers to Internal Rotation

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Species with both experimental and calculated internal rotation data.
Name Species
Ethanedial C2H2O2
fluoroethane C2H5F
Ethanol CH3CH2OH
Styrene C6H5CHCH2
borane ammonia BH3NH3
Ethane, 1,1-difluoro- CH3CHF2
Butane CH3CH2CH2CH3
Ethane, 1,1,1-trichloro- CH3CCl3
methyl amine cation CH3NH2+
Formic acid HCOOH
benzaldehyde C6H5CHO
Methyl alcohol anion CH3OH-
Ethyl chloride CH3CH2Cl
Ethane, 1,2-dichloro- CH2ClCH2Cl
Disulfur dichloride ClSSCl
methyl silane CH3SiH3
Propanal CH3CH2CHO
Acetaldehyde CH3CHO
acetaldehyde cation CH3CHO+
Hydrogen peroxide cation H2O2+
methyl amine CH3NH2
Dimethyl ether CH3OCH3
hexafluoroethane C2F6
1-Butyne CHCCH2CH3
Acetic acid CH3COOH
Methylketene C3H4O
Hydrazine N2H4
Ethanedial cation C2H2O2+
Isopropyl alcohol CH3CHOHCH3
Nitric acid, ethyl ester C2H5NO3
Acetamide CH3CONH2
2-Butene, 1-chloro- CH2ClCHCHCH3
Propylene oxide C3H6O
2-Butanone CH3COCH2CH3
Diboron tetrachloride B2Cl4
hydrazine cation N2H4+
Methyl alcohol cation CH3OH+
chloroacetaldehyde CH2ClCHO
Ethane C2H6
Hydrogen peroxide H2O2
Ethane, 1,1,1-trifluoro- CH3CF3
phenol C6H5OH
ethane cation C2H6+
Glycine H2NCH2COOH
Methoxyacetonitrile CH3OCH2CN
Diboron tetrafluoride B2F4
Methyl alcohol CH3OH
Methane selenol CH3SeH
Propene CH2CHCH3