Formula | O2F4N8S16H70C84 |
Reduced formula | OF2N4S8H35C42 |
Stoichiometry | AB2C4D8E35F42 |
Number of species | 6 |
Number of atoms | 184 |
Unique ID | 5 |
Packing density | 0.035 |
Dipole moment [Debye] | 8.366 |
HOMO-LUMO gap (B3LYP) [eV] | 2.308 |
HOMO (B3LYP) [eV] | -5.116 |
LUMO (B3LYP) [eV] | -2.808 |
Unit | Dimer |
GS Energy [eV] | -288536.678 |