Formula | F2N8S8O12H88C92 |
Reduced formula | FN4S4O6H44C46 |
Stoichiometry | AB4C4D6E44F46 |
Number of species | 6 |
Number of atoms | 210 |
Unique ID | 8 |
Packing density | 0.032 |
Dipole moment [Debye] | 5.076 |
HOMO-LUMO gap (B3LYP) [eV] | 2.066 |
HOMO (B3LYP) [eV] | -4.663 |
LUMO (B3LYP) [eV] | -2.597 |
Unit | Dimer |
GS Energy [eV] | -225480.642 |