Molecule SMILES: C(C(=O)C(=O)CO)O
Rotational constants A, B, C (GHz): 5.16852, 1.09652, 0.91479
Dipole moment mu (Debye): 0.0004
Isotropic polarizability alpha (Bohr^3): 55.61
HOMO energy (Hartree): -0.2428
LUMO energy (Hartree): -0.0853
HOMO-LUMO gap (Hartree): 0.1576
Electronic spatial extent r2 (Bohr^2): 1179.4221
Zero-point vibrational energy (Hartree): 0.102822
Internal energy at 0 K (Hartree): -456.812787
Internal energy at 298.15 K (Hartree): -456.803527
Enthalpy at 298.15 K (Hartree): -456.802583
Free energy at 298.15 K (Hartree): -456.847571
Heat capacity at 298.15 K (cal/mol K): 30.729
Atomization energy at 0 K (kcal/mol): -1359.0244792051
Atomization energy at 298.15 K (kcal/mol): -1365.655994317
Atomization enthalpy at 298.15 K (kcal/mol): -1373.360549819
Atomization free energy at 298.15 K (kcal/mol): -1266.697825017