Molecule SMILES: CC(O)(CO)C(O)CO
Rotational constants A, B, C (GHz): 3.01486, 0.95001, 0.88172
Dipole moment mu (Debye): 2.1096
Isotropic polarizability alpha (Bohr^3): 70.67
HOMO energy (Hartree): -0.2556
LUMO energy (Hartree): 0.058
HOMO-LUMO gap (Hartree): 0.3136
Electronic spatial extent r2 (Bohr^2): 1397.9576
Zero-point vibrational energy (Hartree): 0.179477
Internal energy at 0 K (Hartree): -498.486852
Internal energy at 298.15 K (Hartree): -498.475933
Enthalpy at 298.15 K (Hartree): -498.474989
Free energy at 298.15 K (Hartree): -498.522295
Heat capacity at 298.15 K (cal/mol K): 40.471
Atomization energy at 0 K (kcal/mol): -1877.1304226001
Atomization energy at 298.15 K (kcal/mol): -1888.941396998
Atomization enthalpy at 298.15 K (kcal/mol): -1900.7962970261
Atomization free energy at 298.15 K (kcal/mol): -1735.977293122