| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1C(C)N1N1CCCNN=C1 |
| Molar mass | 168.1375 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.39524 |
| Number of basis functions | 212 |
| Zero Point Vibrational Energy | 0.267178 |
| InChI | InChI=1/C8H18N4/c1-7-8(2)12(7)11-5-3-4-9-10-6-11/h7-10H,3-6H2,1-2H3/t7-,8+,12- |
| Number of occupied orbitals | 46 |
| Energy at 0K | -529.635373 |
| Input SMILES | CC1C(C)N1N1CCCNN=C1 |
| Number of orbitals | 212 |
| Number of virtual orbitals | 166 |
| Standard InChI | InChI=1S/C8H18N4/c1-7-8(2)12(7)11-5-3-4-9-10-6-11/h7-10H,3-6H2,1-2H3/t7-,8+,12- |
| Total Energy | -529.624265 |
| Entropy | 1.642261D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -529.62332 |
| Standard InChI Key | InChIKey=XGENINHKIMYISU-IJBDUVHLSA-N |
| Final Isomeric SMILES | C[C@@H]1[C@H](C)N1N2CCCNNC2 |
| SMILES | C[C@@H]1[C@@H]([N@@]1[N@]1CCCNNC1)C |
| Gibbs energy | -529.672284 |
| Thermal correction to Energy | 0.278286 |
| Thermal correction to Enthalpy | 0.27923 |
| Thermal correction to Gibbs energy | 0.230266 |
