Molecule SMILES: CC(O)C1(O)C(O)C1O
Rotational constants A, B, C (GHz): 2.08264, 1.38877, 1.25678
Dipole moment mu (Debye): 2.2507
Isotropic polarizability alpha (Bohr^3): 67.02
HOMO energy (Hartree): -0.233
LUMO energy (Hartree): 0.0554
HOMO-LUMO gap (Hartree): 0.2884
Electronic spatial extent r2 (Bohr^2): 1134.2759
Zero-point vibrational energy (Hartree): 0.156792
Internal energy at 0 K (Hartree): -497.26799
Internal energy at 298.15 K (Hartree): -497.258306
Enthalpy at 298.15 K (Hartree): -497.257362
Free energy at 298.15 K (Hartree): -497.301885
Heat capacity at 298.15 K (cal/mol K): 37.206
Atomization energy at 0 K (kcal/mol): -1740.1351677561
Atomization energy at 298.15 K (kcal/mol): -1750.944010281
Atomization enthalpy at 298.15 K (kcal/mol): -1761.6129182991
Atomization free energy at 298.15 K (kcal/mol): -1611.381616118