Molecule SMILES: CC(=O)C(O)C(O)CO
Rotational constants A, B, C (GHz): 2.80809, 1.02463, 0.80758
Dipole moment mu (Debye): 2.6851
Isotropic polarizability alpha (Bohr^3): 68.82
HOMO energy (Hartree): -0.2626
LUMO energy (Hartree): -0.0227
HOMO-LUMO gap (Hartree): 0.2399
Electronic spatial extent r2 (Bohr^2): 1407.3735
Zero-point vibrational energy (Hartree): 0.155803
Internal energy at 0 K (Hartree): -497.311007
Internal energy at 298.15 K (Hartree): -497.300517
Enthalpy at 298.15 K (Hartree): -497.299572
Free energy at 298.15 K (Hartree): -497.347079
Heat capacity at 298.15 K (cal/mol K): 37.423
Atomization energy at 0 K (kcal/mol): -1767.1287224091
Atomization energy at 298.15 K (kcal/mol): -1777.43179268
Atomization enthalpy at 298.15 K (kcal/mol): -1788.100073189
Atomization free energy at 298.15 K (kcal/mol): -1639.7412578641