| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC(C)C1=CC=NN2CC(C)C12 |
| Molar mass | 164.13135 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 11.27631 |
| Number of basis functions | 212 |
| Zero Point Vibrational Energy | 0.265349 |
| InChI | InChI=1/C10H20N2/c1-7(2)9-4-5-11-12-6-8(3)10(9)12/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 |
| Number of occupied orbitals | 45 |
| Energy at 0K | -496.534657 |
| Input SMILES | CC(C)C1=CC=NN2CC(C)C12 |
| Number of orbitals | 212 |
| Number of virtual orbitals | 167 |
| Standard InChI | InChI=1S/C10H20N2/c1-7(2)9-4-5-11-12-6-8(3)10(9)12/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 |
| Total Energy | -496.523374 |
| Entropy | 1.688445D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -496.52243 |
| Standard InChI Key | InChIKey=BHNIQNMZCYFIER-UTLUCORTSA-N |
| Final Isomeric SMILES | CC(C)[C@@H]1CCNN2C[C@@H](C)[C@@H]12 |
| SMILES | CC([C@@H]1CCN[N@@]2[C@H]1[C@H](C)C2)C |
| Gibbs energy | -496.572771 |
| Thermal correction to Energy | 0.276632 |
| Thermal correction to Enthalpy | 0.277576 |
| Thermal correction to Gibbs energy | 0.227236 |
