  The chiral $Fe_3O(NC_5H_5)_3(O_2CC_6H_5)_6$ molecular cation, with C$_3$
symmetry, is composed of three six-fold coordinated spin-carrying Fe$^{3+}$
cations that form a perfect equilateral triangle. Experimental reports
demonstrating the spin-electric effect in this system also identify the
presence of a magnetic uni-axis and suggest that this molecule may be a good
candidate for an externally controllable molecular qubit. Here we demonstrate,
using standard density-functional methods, that the spin-electric behavior of
this molecule could be even more interesting as there are energetically
competitive reference states associated with both high and low local spins
(S=5/2 vs. S=1/2) on the Fe$^{3+}$ ions. Each of these structures allow for
spin-electric ground states. We find that qualitative differences in the
broadening of the Fe(2s) and O(1s) core levels and the single-spin anisotropy
Hamiltonian may be used to confirm whether the high-spin manifold is lower in
energy than the low-spin manifold.
