| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CC2(C)CCCCC2=NN1 |
| Molar mass | 166.147 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.87688 |
| Number of basis functions | 216 |
| Zero Point Vibrational Energy | 0.293668 |
| InChI | InChI=1/C10H20N2/c1-8-7-10(2)6-4-3-5-9(10)12-11-8/h8-9,11-12H,3-7H2,1-2H3/t8-,9+,10+/m0/s1 |
| Number of occupied orbitals | 46 |
| Energy at 0K | -497.739822 |
| Input SMILES | CC1CC2(C)CCCCC2=NN1 |
| Number of orbitals | 216 |
| Number of virtual orbitals | 170 |
| Standard InChI | InChI=1S/C10H20N2/c1-8-7-10(2)6-4-3-5-9(10)12-11-8/h8-9,11-12H,3-7H2,1-2H3/t8-,9+,10+/m0/s1 |
| Total Energy | -497.72935 |
| Entropy | 1.562837D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -497.728406 |
| Standard InChI Key | InChIKey=QOHGHFKCBCTRNU-IVZWLZJFSA-N |
| Final Isomeric SMILES | C[C@H]1C[C@@]2(C)CCCC[C@H]2NN1 |
| SMILES | C[C@@H]1NN[C@H]2[C@](C1)(C)CCCC2 |
| Gibbs energy | -497.775002 |
| Thermal correction to Energy | 0.30414 |
| Thermal correction to Enthalpy | 0.305084 |
| Thermal correction to Gibbs energy | 0.258488 |
