| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1C(C)N1N1C=C(C=C)N=N1 |
| Molar mass | 164.1062 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 12.36829 |
| Number of basis functions | 204 |
| Zero Point Vibrational Energy | 0.214329 |
| InChI | InChI=1/C8H18N4/c1-4-8-5-11(10-9-8)12-6(2)7(12)3/h6-10H,4-5H2,1-3H3/t6-,7+,8-,12-/m0/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -527.358992 |
| Input SMILES | CC1C(C)N1N1C=C(C=C)N=N1 |
| Number of orbitals | 204 |
| Number of virtual orbitals | 160 |
| Standard InChI | InChI=1S/C8H18N4/c1-4-8-5-11(10-9-8)12-6(2)7(12)3/h6-10H,4-5H2,1-3H3/t6-,7+,8-,12-/m0/s1 |
| Total Energy | -527.348045 |
| Entropy | 1.666443D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -527.347101 |
| Standard InChI Key | InChIKey=YKUMEHCKWGKXIX-MEUQOTJWSA-N |
| Final Isomeric SMILES | CC[C@H]1CN(NN1)N2[C@@H](C)[C@H]2C |
| SMILES | CC[C@@H]1NN[N@@](C1)[N@@]1[C@@H]([C@@H]1C)C |
| Gibbs energy | -527.396786 |
| Thermal correction to Energy | 0.225276 |
| Thermal correction to Enthalpy | 0.22622 |
| Thermal correction to Gibbs energy | 0.176535 |
