Molecule SMILES: CC1(O)C(O)C(O)C1O
Rotational constants A, B, C (GHz): 1.89057, 1.78488, 1.25116
Dipole moment mu (Debye): 2.2349
Isotropic polarizability alpha (Bohr^3): 66.58
HOMO energy (Hartree): -0.2324
LUMO energy (Hartree): 0.0407
HOMO-LUMO gap (Hartree): 0.2731
Electronic spatial extent r2 (Bohr^2): 1074.4472
Zero-point vibrational energy (Hartree): 0.156946
Internal energy at 0 K (Hartree): -497.279999
Internal energy at 298.15 K (Hartree): -497.270402
Enthalpy at 298.15 K (Hartree): -497.269458
Free energy at 298.15 K (Hartree): -497.313624
Heat capacity at 298.15 K (cal/mol K): 36.955
Atomization energy at 0 K (kcal/mol): -1747.6709233371
Atomization energy at 298.15 K (kcal/mol): -1758.534359145
Atomization enthalpy at 298.15 K (kcal/mol): -1769.203267163
Atomization free energy at 298.15 K (kcal/mol): -1618.747944269