Molecule SMILES: CC(=O)OC1(COC1)C
Rotational constants A, B, C (GHz): 3.1609, 1.08211, 1.06657
Dipole moment mu (Debye): 2.3565
Isotropic polarizability alpha (Bohr^3): 71.67
HOMO energy (Hartree): -0.2523
LUMO energy (Hartree): 0.0077
HOMO-LUMO gap (Hartree): 0.2601
Electronic spatial extent r2 (Bohr^2): 1245.982
Zero-point vibrational energy (Hartree): 0.156489
Internal energy at 0 K (Hartree): -460.183254
Internal energy at 298.15 K (Hartree): -460.173623
Enthalpy at 298.15 K (Hartree): -460.172679
Free energy at 298.15 K (Hartree): -460.218378
Heat capacity at 298.15 K (cal/mol K): 34.217
Atomization energy at 0 K (kcal/mol): -1823.6384178951
Atomization energy at 298.15 K (kcal/mol): -1834.481145906
Atomization enthalpy at 298.15 K (kcal/mol): -1845.150053924
Atomization free energy at 298.15 K (kcal/mol): -1695.91209849