| Formula | C40N6O4F4H28 |
| Reduced formula | C20N3O2F2H14 |
| Stoichiometry | A2B2C3D14E20 |
| Number of species | 5 |
| Number of atoms | 82 |
| Unique ID | 25 |
| Packing density | 0.085 |
| Dipole moment [Debye] | 5.493 |
| HOMO-LUMO gap (B3LYP) [eV] | 2.904 |
| HOMO (B3LYP) [eV] | -5.309 |
| LUMO (B3LYP) [eV] | -2.405 |
| Unit | Dimer |
| GS Energy [eV] | -69951.397 |