return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which barriers to internal rotation calculations are completed at CCD /6-31+G**

Species Name Rotor type
CH3CH methylmethylene CH
FOOF Perfluoroperoxide OF
N2O3 Dinitrogen trioxide NO2