| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1=C2CC=CC(C)(C)C2=NN1 |
| Molar mass | 162.1157 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.48041 |
| Number of basis functions | 208 |
| Zero Point Vibrational Energy | 0.240978 |
| InChI | InChI=1/C10H20N2/c1-7-8-5-4-6-10(2,3)9(8)12-11-7/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9+/m1/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -495.461675 |
| Input SMILES | CC1=C2CC=CC(C)(C)C2=NN1 |
| Number of orbitals | 208 |
| Number of virtual orbitals | 164 |
| Standard InChI | InChI=1S/C10H20N2/c1-7-8-5-4-6-10(2,3)9(8)12-11-7/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9+/m1/s1 |
| Total Energy | -495.45071 |
| Entropy | 1.651149D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -495.449766 |
| Standard InChI Key | InChIKey=QOVHABMNXCVZNR-VGMNWLOBSA-N |
| Final Isomeric SMILES | C[C@H]1NN[C@H]2[C@H]1CCCC2(C)C |
| SMILES | C[C@H]1NN[C@H]2[C@H]1CCCC2(C)C |
| Gibbs energy | -495.498995 |
| Thermal correction to Energy | 0.251943 |
| Thermal correction to Enthalpy | 0.252887 |
| Thermal correction to Gibbs energy | 0.203658 |
