Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name | Experimental Angle | Calculated Angle | Difference |
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CH3CH(CH3)ONO | Isopropyl nitrite | 113.2 | 104.7 | 8.5 |
CH3NO3 | Methyl nitrate | 112.7 | 105.5 | 7.2 |
CH3ONO | Methyl nitrite | 114.7 | 109.8 | 4.9 |
C2H5NO3 | Nitric acid, ethyl ester | 111.0 | 105.9 | 5.1 |