Molecule SMILES: C(C(CO)(CO)CO)O
Rotational constants A, B, C (GHz): 1.62596, 1.62595, 1.00534
Dipole moment mu (Debye): 0.0004
Isotropic polarizability alpha (Bohr^3): 70.58
HOMO energy (Hartree): -0.2431
LUMO energy (Hartree): 0.0665
HOMO-LUMO gap (Hartree): 0.3095
Electronic spatial extent r2 (Bohr^2): 1253.8886
Zero-point vibrational energy (Hartree): 0.179089
Internal energy at 0 K (Hartree): -498.467717
Internal energy at 298.15 K (Hartree): -498.455886
Enthalpy at 298.15 K (Hartree): -498.454942
Free energy at 298.15 K (Hartree): -498.504719
Heat capacity at 298.15 K (cal/mol K): 40.999
Atomization energy at 0 K (kcal/mol): -1865.1230378851
Atomization energy at 298.15 K (kcal/mol): -1876.3617240751
Atomization enthalpy at 298.15 K (kcal/mol): -1888.2166241031
Atomization free energy at 298.15 K (kcal/mol): -1724.9481949381