| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1(C)CN1N1CC=CC1=NN |
| Molar mass | 166.12185 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 12.16094 |
| Number of basis functions | 208 |
| Zero Point Vibrational Energy | 0.239803 |
| InChI | InChI=1/C8H18N4/c1-8(2)6-12(8)11-5-3-4-7(11)10-9/h7,10H,3-6,9H2,1-2H3/t7-,12+/m0/s1 |
| Number of occupied orbitals | 45 |
| Energy at 0K | -528.506044 |
| Input SMILES | CC1(C)CN1N1CC=CC1=NN |
| Number of orbitals | 208 |
| Number of virtual orbitals | 163 |
| Standard InChI | InChI=1S/C8H18N4/c1-8(2)6-12(8)11-5-3-4-7(11)10-9/h7,10H,3-6,9H2,1-2H3/t7-,12+/m0/s1 |
| Total Energy | -528.494492 |
| Entropy | 1.665571D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -528.493548 |
| Standard InChI Key | InChIKey=YQUMHSLIRLBHDD-JVXZTZIISA-N |
| Final Isomeric SMILES | CC1(C)CN1N2CCC[C@H]2NN |
| SMILES | NN[C@@H]1CCC[N@]1[N@@]1CC1(C)C |
| Gibbs energy | -528.543207 |
| Thermal correction to Energy | 0.251355 |
| Thermal correction to Enthalpy | 0.252299 |
| Thermal correction to Gibbs energy | 0.20264 |
