We have found that 2 internal rotation tunnelings dynamics and 3 interchange tunneling dynamics
are feasible.
This scheme may generate the same number of energy splittings as
1 interchange tunneling dynamics, 2 internal rotation dynamics and 2 internal
monomer inversion dynamics if they were feasible.
A better analysis
of vibrational motions with 3D images, have
induce us to abandon the consideration of one possible interchange tunneling dynamics we
studied before,
and yet to find another one
which escaped previously to our notice.
The MCSCF PES features valleys of
basically the same shape as the RHF PES, but the energetics are different as the reordering
of frequencies shows.
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