| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC(C)(C)ON |
| Molar mass | 89.08406 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 16.90412 |
| Number of basis functions | 112 |
| Zero Point Vibrational Energy | 0.164628 |
| InChI | InChI=1/C4H11NO/c1-4(2,3)6-5/h5H2,1-3H3 |
| Number of occupied orbitals | 25 |
| Energy at 0K | -286.958168 |
| Input SMILES | NOC(C)(C)C |
| Number of orbitals | 112 |
| Number of virtual orbitals | 87 |
| Standard InChI | InChI=1S/C4H11NO/c1-4(2,3)6-5/h5H2,1-3H3 |
| Total Energy | -286.950666 |
| Entropy | 1.304981D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -286.949722 |
| Standard InChI Key | InChIKey=KKVUFSINQFSJNK-UHFFFAOYSA-N |
| Final Isomeric SMILES | CC(C)(C)ON |
| SMILES | NOC(C)(C)C |
| Gibbs energy | -286.98863 |
| Thermal correction to Energy | 0.17213 |
| Thermal correction to Enthalpy | 0.173075 |
| Thermal correction to Gibbs energy | 0.134167 |
