| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CN2NCC(C)(C)C2=NN1 |
| Molar mass | 168.1375 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.65347 |
| Number of basis functions | 212 |
| Zero Point Vibrational Energy | 0.268292 |
| InChI | InChI=1/C8H18N4/c1-6-4-12-7(11-10-6)8(2,3)5-9-12/h6-7,9-11H,4-5H2,1-3H3/t6-,7-/m0/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -529.707243 |
| Input SMILES | CC1CN2NCC(C)(C)C2=NN1 |
| Number of orbitals | 212 |
| Number of virtual orbitals | 166 |
| Standard InChI | InChI=1S/C8H18N4/c1-6-4-12-7(11-10-6)8(2,3)5-9-12/h6-7,9-11H,4-5H2,1-3H3/t6-,7-/m0/s1 |
| Total Energy | -529.696271 |
| Entropy | 1.609592D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -529.695327 |
| Standard InChI Key | InChIKey=CKKISGWPXCGTPG-BQBZGAKWSA-N |
| Final Isomeric SMILES | C[C@H]1CN2NCC(C)(C)[C@H]2NN1 |
| SMILES | C[C@@H]1NN[C@H]2[N@@](C1)NCC2(C)C |
| Gibbs energy | -529.743317 |
| Thermal correction to Energy | 0.279263 |
| Thermal correction to Enthalpy | 0.280207 |
| Thermal correction to Gibbs energy | 0.232218 |
