Molecule SMILES: C(CO)C(CO)(CO)O
Rotational constants A, B, C (GHz): 2.34287, 0.96222, 0.82069
Dipole moment mu (Debye): 0.9035
Isotropic polarizability alpha (Bohr^3): 70.25
HOMO energy (Hartree): -0.2496
LUMO energy (Hartree): 0.0464
HOMO-LUMO gap (Hartree): 0.296
Electronic spatial extent r2 (Bohr^2): 1471.0682
Zero-point vibrational energy (Hartree): 0.179749
Internal energy at 0 K (Hartree): -498.478643
Internal energy at 298.15 K (Hartree): -498.467503
Enthalpy at 298.15 K (Hartree): -498.466559
Free energy at 298.15 K (Hartree): -498.515202
Heat capacity at 298.15 K (cal/mol K): 40.168
Atomization energy at 0 K (kcal/mol): -1871.9792012191
Atomization energy at 298.15 K (kcal/mol): -1883.6514961281
Atomization enthalpy at 298.15 K (kcal/mol): -1895.5063961561
Atomization free energy at 298.15 K (kcal/mol): -1731.526371785