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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H2CO | Formaldehyde | 116.1 | 117.3 | -1.1 |
CH4 | Methane | 109.5 | 109.5 | -0.0 |
C2H6 | Ethane | 108.0 | 107.9 | 0.1 |
C2H4 | Ethylene | 117.6 | 116.6 | 1.0 |
C3H6 | Cyclopropane | 114.5 | 114.8 | -0.3 |