Molecule SMILES: C1C(=O)C(O1)(CO)CO
Rotational constants A, B, C (GHz): 2.39697, 1.33434, 1.15159
Dipole moment mu (Debye): 2.7924
Isotropic polarizability alpha (Bohr^3): 65.13
HOMO energy (Hartree): -0.2632
LUMO energy (Hartree): -0.0463
HOMO-LUMO gap (Hartree): 0.217
Electronic spatial extent r2 (Bohr^2): 1123.3641
Zero-point vibrational energy (Hartree): 0.134139
Internal energy at 0 K (Hartree): -496.079177
Internal energy at 298.15 K (Hartree): -496.070184
Enthalpy at 298.15 K (Hartree): -496.06924
Free energy at 298.15 K (Hartree): -496.113284
Heat capacity at 298.15 K (cal/mol K): 32.726
Atomization energy at 0 K (kcal/mol): -1621.9959308531
Atomization energy at 298.15 K (kcal/mol): -1631.461276609
Atomization enthalpy at 298.15 K (kcal/mol): -1640.944192617
Atomization free energy at 298.15 K (kcal/mol): -1506.7463728951