| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1(C)CN1N=CCCC1CC1 |
| Molar mass | 166.147 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 14.33457 |
| Number of basis functions | 216 |
| Zero Point Vibrational Energy | 0.286483 |
| InChI | InChI=1/C10H20N2/c1-10(2)8-12(10)11-7-3-4-9-5-6-9/h9,11H,3-8H2,1-2H3 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -497.659243 |
| Input SMILES | CC1(C)CN1N=CCCC1CC1 |
| Number of orbitals | 216 |
| Number of virtual orbitals | 170 |
| Standard InChI | InChI=1S/C10H20N2/c1-10(2)8-12(10)11-7-3-4-9-5-6-9/h9,11H,3-8H2,1-2H3 |
| Total Energy | -497.646344 |
| Entropy | 1.840416D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -497.6454 |
| Standard InChI Key | InChIKey=YAZDVVNFFXSXSC-UHFFFAOYSA-N |
| Final Isomeric SMILES | CC1(C)CN1NCCCC2CC2 |
| SMILES | CC1(C)CN1NCCCC1CC1 |
| Gibbs energy | -497.700272 |
| Thermal correction to Energy | 0.299383 |
| Thermal correction to Enthalpy | 0.300327 |
| Thermal correction to Gibbs energy | 0.245455 |
