Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name | Experimental Angle | Calculated Angle | Difference |
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CH3CH2OH | Ethanol | 105.4 | 108.4 | -3.0 |
HCOOH | Formic acid | 106.3 | 107.3 | -1.0 |
CF3COOH | trifluoroacetic acid | 107.0 | 109.7 | -2.7 |
C3H6O | 2-Propen-1-ol | 107.3 | 108.0 | -0.7 |
C2H2O4 | Oxalic Acid | 104.4 | 107.2 | -2.8 |