Molecule SMILES: C(C=O)C(CO)(CO)O
Rotational constants A, B, C (GHz): 2.62726, 1.15711, 0.97628
Dipole moment mu (Debye): 1.6697
Isotropic polarizability alpha (Bohr^3): 67.89
HOMO energy (Hartree): -0.2481
LUMO energy (Hartree): -0.0428
HOMO-LUMO gap (Hartree): 0.2053
Electronic spatial extent r2 (Bohr^2): 1247.5225
Zero-point vibrational energy (Hartree): 0.156511
Internal energy at 0 K (Hartree): -497.297034
Internal energy at 298.15 K (Hartree): -497.286925
Enthalpy at 298.15 K (Hartree): -497.285981
Free energy at 298.15 K (Hartree): -497.332001
Heat capacity at 298.15 K (cal/mol K): 36.855
Atomization energy at 0 K (kcal/mol): -1758.3605391521
Atomization energy at 298.15 K (kcal/mol): -1768.902690352
Atomization enthalpy at 298.15 K (kcal/mol): -1779.57159837
Atomization free energy at 298.15 K (kcal/mol): -1630.2796771621