| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | C1C2N1CC13CC21C1CN(C1)C3 |
| Molar mass | 162.1157 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 15.4407 |
| Number of basis functions | 208 |
| Zero Point Vibrational Energy | 0.247304 |
| InChI | InChI=1/C10H14N2/c1-7-2-11(1)5-9-4-10(7,9)8-3-12(8)6-9/h7-8H,1-6H2/t8-,9-,10+,12+/m0/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -495.337885 |
| Input SMILES | C1C2N1CC13CC21C1CN(C1)C3 |
| Number of orbitals | 208 |
| Number of virtual orbitals | 164 |
| Standard InChI | InChI=1S/C10H14N2/c1-7-2-11(1)5-9-4-10(7,9)8-3-12(8)6-9/h7-8H,1-6H2/t8-,9-,10+,12+/m0/s1 |
| Total Energy | -495.330202 |
| Entropy | 1.375516D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -495.329258 |
| Standard InChI Key | InChIKey=JSOWZVIJUBUDLF-UXCLJVHYSA-N |
| Final Isomeric SMILES | C1C2CN1C[C@@]34CN5C[C@H]5[C@@]23C4 |
| SMILES | C1[N@@]2C[C@H]1[C@]13[C@](C2)(C1)C[N@@]1[C@H]3C1 |
| Gibbs energy | -495.370269 |
| Thermal correction to Energy | 0.254986 |
| Thermal correction to Enthalpy | 0.25593 |
| Thermal correction to Gibbs energy | 0.214919 |
