| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CC2CCCCCC2=NN1 |
| Molar mass | 166.147 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.81946 |
| Number of basis functions | 216 |
| Zero Point Vibrational Energy | 0.294631 |
| InChI | InChI=1/C10H20N2/c1-8-7-9-5-3-2-4-6-10(9)12-11-8/h8-12H,2-7H2,1H3/t8-,9-,10-/m0/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -497.730141 |
| Input SMILES | CC1CC2CCCCCC2=NN1 |
| Number of orbitals | 216 |
| Number of virtual orbitals | 170 |
| Standard InChI | InChI=1S/C10H20N2/c1-8-7-9-5-3-2-4-6-10(9)12-11-8/h8-12H,2-7H2,1H3/t8-,9-,10-/m0/s1 |
| Total Energy | -497.71982 |
| Entropy | 1.570686D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -497.718876 |
| Standard InChI Key | InChIKey=UWFJFIMWJPZQGE-GUBZILKMSA-N |
| Final Isomeric SMILES | C[C@H]1C[C@@H]2CCCCC[C@@H]2NN1 |
| SMILES | C[C@@H]1NN[C@@H]2[C@H](C1)CCCCC2 |
| Gibbs energy | -497.765706 |
| Thermal correction to Energy | 0.304952 |
| Thermal correction to Enthalpy | 0.305896 |
| Thermal correction to Gibbs energy | 0.259066 |
