Formula | O6F8N8S10H106C134 |
Reduced formula | O3F4N4S5H53C67 |
Stoichiometry | A3B4C4D5E53F67 |
Number of species | 6 |
Number of atoms | 272 |
Unique ID | 10 |
Packing density | 0.033 |
Dipole moment [Debye] | 15.187 |
HOMO-LUMO gap (B3LYP) [eV] | 2.629 |
HOMO (B3LYP) [eV] | -5.056 |
LUMO (B3LYP) [eV] | -2.427 |
Unit | Dimer |
GS Energy [eV] | -295037.710 |