Molecule SMILES: O=CC1C2OCOC12
Rotational constants A, B, C (GHz): 4.34552, 1.54413, 1.54134
Dipole moment mu (Debye): 3.6845
Isotropic polarizability alpha (Bohr^3): 58.27
HOMO energy (Hartree): -0.2417
LUMO energy (Hartree): -0.0233
HOMO-LUMO gap (Hartree): 0.2185
Electronic spatial extent r2 (Bohr^2): 854.0414
Zero-point vibrational energy (Hartree): 0.106934
Internal energy at 0 K (Hartree): -419.650977
Internal energy at 298.15 K (Hartree): -419.644186
Enthalpy at 298.15 K (Hartree): -419.643241
Free energy at 298.15 K (Hartree): -419.682431
Heat capacity at 298.15 K (cal/mol K): 24.477
Atomization energy at 0 K (kcal/mol): -1394.1631006781
Atomization energy at 298.15 K (kcal/mol): -1402.34456302
Atomization enthalpy at 298.15 K (kcal/mol): -1410.048491013
Atomization free energy at 298.15 K (kcal/mol): -1300.002865192