The energies and point groups (PG) of the lowest energy minima of (C60)n I- found for n≤13.
The unit of energy is in eV and the unit of distance is the effective radius Rf (Rf=4.75 Angstrom).
Click on a label to obtain the
Cartesian coordinates of a minimum.
| n |
PG |
Energy |
| 1 |
Cinftyv |
-0.34475 |
| 2 |
C2v | -0.88408 |
| 3 |
C3v | -1.64977 |
| 4 |
C3v | -2.50821 |
| 5 |
Cs | -3.36564 |
| 6 |
Oh | -4.39726 |
| 7 |
Cs | -5.33089 |
| 8 |
C2v | -6.25417 |
| 9 |
D3h | -7.41426 |
| 10 |
C1 | -8.29826 |
| 11 |
Cs | -9.41384 |
| 12 |
Cs | -10.53818 |
| 13 |
C2v | -11.69736 |
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