| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | C1C2CN1C1(C2)CC2CN(C2)C1 |
| Molar mass | 164.13135 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 15.29131 |
| Number of basis functions | 212 |
| Zero Point Vibrational Energy | 0.272682 |
| InChI | InChI=1/C10H16N2/c1-8-3-11(4-8)7-10(1)2-9-5-12(10)6-9/h8-9H,1-7H2/t10-/m1/s1 |
| Number of occupied orbitals | 45 |
| Energy at 0K | -496.492781 |
| Input SMILES | C1C2CN1C1(C2)CC2CN(C2)C1 |
| Number of orbitals | 212 |
| Number of virtual orbitals | 167 |
| Standard InChI | InChI=1S/C10H16N2/c1-8-3-11(4-8)7-10(1)2-9-5-12(10)6-9/h8-9H,1-7H2/t10-/m1/s1 |
| Total Energy | -496.484655 |
| Entropy | 1.433104D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -496.483711 |
| Standard InChI Key | InChIKey=ZSKMPYIWJBCXCE-SNVBAGLBSA-N |
| Final Isomeric SMILES | C1C2CN1C[C@@]3(C2)CC4CN3C4 |
| SMILES | C1[C@@H]2C[N@]1C[C@@]1(C2)C[C@H]2C[N@@]1C2 |
| Gibbs energy | -496.526439 |
| Thermal correction to Energy | 0.280808 |
| Thermal correction to Enthalpy | 0.281752 |
| Thermal correction to Gibbs energy | 0.239024 |
