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 | 20.20 | 1689 |
1 | 75 | 24.85 | 2077 |
1 | 180 | 0.00 | 0 |
Atoms in torsion 1 are 3, 1, 2, 4
The rotor type is CHO
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