Molecule SMILES: C(C(=O)CO)C(=O)CO
Rotational constants A, B, C (GHz): 3.25351, 0.8245, 0.77374
Dipole moment mu (Debye): 3.0271
Isotropic polarizability alpha (Bohr^3): 66.96
HOMO energy (Hartree): -0.2803
LUMO energy (Hartree): -0.0633
HOMO-LUMO gap (Hartree): 0.2171
Electronic spatial extent r2 (Bohr^2): 1496.1718
Zero-point vibrational energy (Hartree): 0.13203
Internal energy at 0 K (Hartree): -496.123358
Internal energy at 298.15 K (Hartree): -496.11331
Enthalpy at 298.15 K (Hartree): -496.112366
Free energy at 298.15 K (Hartree): -496.160446
Heat capacity at 298.15 K (cal/mol K): 34.495
Atomization energy at 0 K (kcal/mol): -1649.7199059821
Atomization energy at 298.15 K (kcal/mol): -1658.5232297431
Atomization enthalpy at 298.15 K (kcal/mol): -1668.006145751
Atomization free energy at 298.15 K (kcal/mol): -1536.3409523531