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: Experimental > Energy > Internal Rotation |
torsion index | Angle | Energy (kJ mol-1) | Energy (cm-1) |
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1 | 0 | 11.38 | 951 |
Atoms in torsion 1 are 2, 1, 3, 5
The rotor type is CH3
A2 mode
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