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 | 109.1 | -3.7 |
HCOOH | Formic acid | 106.3 | 107.8 | -1.5 |
HOCO+ | Hydrocarboxyl cation | 119.4 | 120.8 | -1.4 |