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why is the calculated dihedral angle of gauche butane different from 60.0°

why is the calculated dihedral angle of gauche butane different from 60.0°

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why is the calculated dihedral angle of gauche butane different from 60.0°

Gauche configuratino of butane:

C2-C3

analysis on C2;

C2 is bonded to 1 CH3 group, 2 H grousp and C3

C3 is bonded to 1 CH3 group, 2 H grousp and C3

note that 60° is when there is exactly the SAME groups

CH3 cant be compared vs. H and cant be compared to CH2CH3 group (back carbon)

therefore, slightly deviations occur

this is normal , but approx anlge is still 60°

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