Molecule SMILES: O1C2C1C1OC1C1OC21
Rotational constants A, B, C (GHz): 2.4402, 2.43973, 1.54937
Dipole moment mu (Debye): 4.4719
Isotropic polarizability alpha (Bohr^3): 62.97
HOMO energy (Hartree): -0.2784
LUMO energy (Hartree): 0.0503
HOMO-LUMO gap (Hartree): 0.3287
Electronic spatial extent r2 (Bohr^2): 844.6525
Zero-point vibrational energy (Hartree): 0.113626
Internal energy at 0 K (Hartree): -457.693773
Internal energy at 298.15 K (Hartree): -457.687553
Enthalpy at 298.15 K (Hartree): -457.686609
Free energy at 298.15 K (Hartree): -457.724252
Heat capacity at 298.15 K (cal/mol K): 25.178
Atomization energy at 0 K (kcal/mol): -1517.1699248941
Atomization energy at 298.15 K (kcal/mol): -1526.598875128
Atomization enthalpy at 298.15 K (kcal/mol): -1534.895799126
Atomization free energy at 298.15 K (kcal/mol): -1413.270749728