| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CCN1N1C=CC=NN=C1 |
| Molar mass | 164.1062 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 11.6774 |
| Number of basis functions | 204 |
| Zero Point Vibrational Energy | 0.216233 |
| InChI | InChI=1/C8H18N4/c1-8-3-6-12(8)11-5-2-4-9-10-7-11/h8-10H,2-7H2,1H3/t8-/m0/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -527.348848 |
| Input SMILES | CC1CCN1N1C=CC=NN=C1 |
| Number of orbitals | 204 |
| Number of virtual orbitals | 160 |
| Standard InChI | InChI=1S/C8H18N4/c1-8-3-6-12(8)11-5-2-4-9-10-7-11/h8-10H,2-7H2,1H3/t8-/m0/s1 |
| Total Energy | -527.338786 |
| Entropy | 1.581385D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -527.337841 |
| Standard InChI Key | InChIKey=WFURKUOWHNCCFS-QMMMGPOBSA-N |
| Final Isomeric SMILES | C[C@H]1CCN1N2CCCNNC2 |
| SMILES | C[C@H]1CC[N@@]1[N@]1CCCNNC1 |
| Gibbs energy | -527.38499 |
| Thermal correction to Energy | 0.226296 |
| Thermal correction to Enthalpy | 0.22724 |
| Thermal correction to Gibbs energy | 0.180092 |
