| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | C1C2N3CC(C3)C3N4CC(C4)C123 |
| Molar mass | 162.1157 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 15.46111 |
| Number of basis functions | 208 |
| Zero Point Vibrational Energy | 0.248248 |
| InChI | InChI=1/C10H14N2/c1-8-10(1)7-4-12(5-7)9(10)6-2-11(8)3-6/h6-9H,1-5H2/t8-,9+,10-/m1/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -495.311057 |
| Input SMILES | C1C2N3CC(C3)C3N4CC(C4)C123 |
| Number of orbitals | 208 |
| Number of virtual orbitals | 164 |
| Standard InChI | InChI=1S/C10H14N2/c1-8-10(1)7-4-12(5-7)9(10)6-2-11(8)3-6/h6-9H,1-5H2/t8-,9+,10-/m1/s1 |
| Total Energy | -495.303813 |
| Entropy | 1.347577D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -495.302869 |
| Standard InChI Key | InChIKey=CZGRHUYRMFQUHB-KXUCPTDWSA-N |
| Final Isomeric SMILES | C1C2CN1[C@@H]3C[C@@]34C5CN(C5)[C@@H]24 |
| SMILES | C1[N@@]2C[C@H]1[C@H]1[C@@]3([C@H]2C3)[C@H]2C[N@@]1C2 |
| Gibbs energy | -495.343047 |
| Thermal correction to Energy | 0.255492 |
| Thermal correction to Enthalpy | 0.256436 |
| Thermal correction to Gibbs energy | 0.216258 |
