A: Calculated Ground State Structure for PF5
Viewing tools:
Impose a color scheme to follow the atoms undergoing exchange:
Begin and stay equatorial red
Begin equatorial and become axial orange
Begin axial and become equatorial blue

Animate one Berry Pseudo Rotation (BPR):



Another View
or Return to Index 		Calculated Transition State
Viewing Tools:
Impose a color scheme to follow the exchange:
Begin and stay equatorial red
Begin equatorial and become axial orange
Begin axial and become equatorial blue
Viewing Calculated Motions
  2. Displacement

  3. Compare to A
  4. View one Cycle of the Vibration:
    Is the Final State the Same as the Initial State?