Molecule SMILES: CC(=O)OC(CO)CO
Rotational constants A, B, C (GHz): 2.4386, 1.0658, 0.96203
Dipole moment mu (Debye): 2.4893
Isotropic polarizability alpha (Bohr^3): 68.42
HOMO energy (Hartree): -0.2609
LUMO energy (Hartree): 0.0086
HOMO-LUMO gap (Hartree): 0.2694
Electronic spatial extent r2 (Bohr^2): 1333.7604
Zero-point vibrational energy (Hartree): 0.157025
Internal energy at 0 K (Hartree): -497.329709
Internal energy at 298.15 K (Hartree): -497.319458
Enthalpy at 298.15 K (Hartree): -497.318513
Free energy at 298.15 K (Hartree): -497.365923
Heat capacity at 298.15 K (cal/mol K): 35.899
Atomization energy at 0 K (kcal/mol): -1778.8643957271
Atomization energy at 298.15 K (kcal/mol): -1789.317440649
Atomization enthalpy at 298.15 K (kcal/mol): -1799.985721158
Atomization free energy at 298.15 K (kcal/mol): -1651.5660374601