| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1C2CC(C)NN=C2C=C1C |
| Molar mass | 164.13135 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 12.01917 |
| Number of basis functions | 212 |
| Zero Point Vibrational Energy | 0.266858 |
| InChI | InChI=1/C10H20N2/c1-6-4-10-9(8(6)3)5-7(2)11-12-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9-,10+/m1/s1 |
| Number of occupied orbitals | 45 |
| Energy at 0K | -496.582449 |
| Input SMILES | CC1C2CC(C)NN=C2C=C1C |
| Number of orbitals | 212 |
| Number of virtual orbitals | 167 |
| Standard InChI | InChI=1S/C10H20N2/c1-6-4-10-9(8(6)3)5-7(2)11-12-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9-,10+/m1/s1 |
| Total Energy | -496.57161 |
| Entropy | 1.600939D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -496.570666 |
| Standard InChI Key | InChIKey=JRVIEORTPGCSAG-IGORNWKESA-N |
| Final Isomeric SMILES | C[C@@H]1C[C@@H]2[C@H](C)[C@H](C)C[C@@H]2NN1 |
| SMILES | C[C@H]1NN[C@@H]2[C@H](C1)[C@H](C)[C@@H](C2)C |
| Gibbs energy | -496.618398 |
| Thermal correction to Energy | 0.277697 |
| Thermal correction to Enthalpy | 0.278641 |
| Thermal correction to Gibbs energy | 0.230909 |
