Molecule SMILES: O=CC1CC2OCOC12
Rotational constants A, B, C (GHz): 2.77969, 1.5627, 1.3867
Dipole moment mu (Debye): 2.6393
Isotropic polarizability alpha (Bohr^3): 67.16
HOMO energy (Hartree): -0.2552
LUMO energy (Hartree): -0.0282
HOMO-LUMO gap (Hartree): 0.227
Electronic spatial extent r2 (Bohr^2): 979.0699
Zero-point vibrational energy (Hartree): 0.136509
Internal energy at 0 K (Hartree): -458.95641
Internal energy at 298.15 K (Hartree): -458.948825
Enthalpy at 298.15 K (Hartree): -458.947881
Free energy at 298.15 K (Hartree): -458.98909
Heat capacity at 298.15 K (cal/mol K): 28.172
Atomization energy at 0 K (kcal/mol): -1681.6343862131
Atomization energy at 298.15 K (kcal/mol): -1691.9838921501
Atomization enthalpy at 298.15 K (kcal/mol): -1701.4668081581
Atomization free energy at 298.15 K (kcal/mol): -1565.745396584