return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Comparisons > Energy > Internal rotation

Compare Barriers to Internal Rotation

Which torsion in CH3OCH3?
picture of Dimethyl ether
Please choose which four atoms describe the torsional coordinate.
choose Atom1 Atom2 Atom3 Atom4 Type of Rotor
torsion 1 2 1 3 5 CH3
torsion 2 2 1 3 5 CH3