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II.B.6.

Experimental Barriers to Internal Rotation for CH3CCl3 (Ethane, 1,1,1-trichloro-)

torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 23.01 1924
1 15 19.66 1643
1 30 11.54 965
1 45 3.39 283
1 60 0.00 0
1 75 3.39 283
1 90 11.54 965
1 105 19.66 1643
1 120 23.01 1924
1 135 19.66 1643
1 150 11.54 965
1 165 3.39 283
1 180 0.00 0
1 195 3.39 283
1 210 11.54 965
1 225 19.66 1643
1 240 23.01 1924
1 255 19.66 1643
1 270 11.54 965
1 285 3.39 283
1 300 0.00 0
1 315 3.39 283
1 330 11.54 965
1 345 19.66 1643
1 360 23.01 1924

Atoms in torsion 1 are 3, 1, 2, 6
The rotor type is CH3

picture of Ethane, 1,1,1-trichloro-

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