The energies and point groups (PG) of the lowest energy minima of (C60)n Cl- 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 here for the global minima in xyz format.
| n |
PG |
Energy |
| 1 |
Cinftyv |
-0.441597 |
| 2 |
C2v | -1.028675 |
| 3 |
C3v | -1.815608 |
| 4 |
C3v | -2.677630 |
| 5 |
C4v | -3.600066 |
| 6 |
Oh | -4.862567 |
| 7 |
C3v | -5.726910 |
| 8 |
C2v | -6.608194 |
| 9 |
Cs | -7.489959 |
| 10 |
Cs | -8.633816 |
| 11 |
Cs | -9.780566 |
| 12 |
C3v | -10.928207 |
| 13 |
C2v | -11.935413 |
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