Molecule SMILES: CC(O)(CO)C(=O)CO
Rotational constants A, B, C (GHz): 2.9155, 0.97999, 0.93532
Dipole moment mu (Debye): 3.8726
Isotropic polarizability alpha (Bohr^3): 68.24
HOMO energy (Hartree): -0.2609
LUMO energy (Hartree): -0.0276
HOMO-LUMO gap (Hartree): 0.2333
Electronic spatial extent r2 (Bohr^2): 1340.7188
Zero-point vibrational energy (Hartree): 0.155118
Internal energy at 0 K (Hartree): -497.307542
Internal energy at 298.15 K (Hartree): -497.296936
Enthalpy at 298.15 K (Hartree): -497.295992
Free energy at 298.15 K (Hartree): -497.343371
Heat capacity at 298.15 K (cal/mol K): 38.252
Atomization energy at 0 K (kcal/mol): -1764.9544037241
Atomization energy at 298.15 K (kcal/mol): -1775.1846829511
Atomization enthalpy at 298.15 K (kcal/mol): -1785.8535909691
Atomization free energy at 298.15 K (kcal/mol): -1637.414454492