| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1NC=NN=CN(C=C)C=C1 |
| Molar mass | 164.1062 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 12.4638 |
| Number of basis functions | 204 |
| Zero Point Vibrational Energy | 0.216308 |
| InChI | InChI=1/C8H20N4/c1-3-12-5-4-8(2)9-6-10-11-7-12/h8-11H,3-7H2,1-2H3/t8-/m1/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -527.371177 |
| Input SMILES | CC1NC=NN=CN(C=C)C=C1 |
| Number of orbitals | 204 |
| Number of virtual orbitals | 160 |
| Standard InChI | InChI=1S/C8H20N4/c1-3-12-5-4-8(2)9-6-10-11-7-12/h8-11H,3-7H2,1-2H3/t8-/m1/s1 |
| Total Energy | -527.360574 |
| Entropy | 1.620023D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -527.35963 |
| Standard InChI Key | InChIKey=VMQMCYICLYVCEC-MRVPVSSYSA-N |
| Final Isomeric SMILES | CCN1CC[C@@H](C)NCNNC1 |
| SMILES | CCN1CNNCN[C@@H](CC1)C |
| Gibbs energy | -527.407931 |
| Thermal correction to Energy | 0.22691 |
| Thermal correction to Enthalpy | 0.227854 |
| Thermal correction to Gibbs energy | 0.179553 |
