Formula | F8N10S14O18H112C132 |
Reduced formula | F4N5S7O9H56C66 |
Stoichiometry | A4B5C7D9E56F66 |
Number of species | 6 |
Number of atoms | 294 |
Unique ID | 2 |
Packing density | 0.030 |
Dipole moment [Debye] | 6.569 |
HOMO-LUMO gap (B3LYP) [eV] | 2.467 |
HOMO (B3LYP) [eV] | -5.056 |
LUMO (B3LYP) [eV] | -2.589 |
Unit | Dimer |
GS Energy [eV] | -363948.643 |