| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CN2N=C(C)CCCCC12 |
| Molar mass | 166.147 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.64069 |
| Number of basis functions | 216 |
| Zero Point Vibrational Energy | 0.29132 |
| InChI | InChI=1/C10H20N2/c1-8-7-12-10(8)6-4-3-5-9(2)11-12/h8-11H,3-7H2,1-2H3/t8-,9+,10+/m0/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -497.692745 |
| Input SMILES | CC1CN2N=C(C)CCCCC12 |
| Number of orbitals | 216 |
| Number of virtual orbitals | 170 |
| Standard InChI | InChI=1S/C10H20N2/c1-8-7-12-10(8)6-4-3-5-9(2)11-12/h8-11H,3-7H2,1-2H3/t8-,9+,10+/m0/s1 |
| Total Energy | -497.681555 |
| Entropy | 1.636726D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -497.680611 |
| Standard InChI Key | InChIKey=SWCJYOOWGBXLIX-IVZWLZJFSA-N |
| Final Isomeric SMILES | C[C@@H]1CCCC[C@@H]2[C@@H](C)CN2N1 |
| SMILES | C[C@@H]1CCCC[C@H]2[N@](N1)C[C@@H]2C |
| Gibbs energy | -497.72941 |
| Thermal correction to Energy | 0.302509 |
| Thermal correction to Enthalpy | 0.303454 |
| Thermal correction to Gibbs energy | 0.254655 |
