Molecule SMILES: O=CC1CC2OCC12
Rotational constants A, B, C (GHz): 3.68919, 1.88591, 1.51095
Dipole moment mu (Debye): 2.9029
Isotropic polarizability alpha (Bohr^3): 64.36
HOMO energy (Hartree): -0.2432
LUMO energy (Hartree): -0.027
HOMO-LUMO gap (Hartree): 0.2162
Electronic spatial extent r2 (Bohr^2): 848.3137
Zero-point vibrational energy (Hartree): 0.130382
Internal energy at 0 K (Hartree): -383.707305
Internal energy at 298.15 K (Hartree): -383.700261
Enthalpy at 298.15 K (Hartree): -383.699317
Free energy at 298.15 K (Hartree): -383.739168
Heat capacity at 298.15 K (cal/mol K): 25.836
Atomization energy at 0 K (kcal/mol): -1565.8426604791
Atomization energy at 298.15 K (kcal/mol): -1575.6430960411
Atomization enthalpy at 298.15 K (kcal/mol): -1584.533643553
Atomization free energy at 298.15 K (kcal/mol): -1458.824138074