Molecule SMILES: CC(O)C(O)C(O)CO
Rotational constants A, B, C (GHz): 2.4803, 1.11265, 0.8056
Dipole moment mu (Debye): 4.2811
Isotropic polarizability alpha (Bohr^3): 71.59
HOMO energy (Hartree): -0.249
LUMO energy (Hartree): 0.0386
HOMO-LUMO gap (Hartree): 0.2877
Electronic spatial extent r2 (Bohr^2): 1425.2648
Zero-point vibrational energy (Hartree): 0.179905
Internal energy at 0 K (Hartree): -498.486909
Internal energy at 298.15 K (Hartree): -498.476169
Enthalpy at 298.15 K (Hartree): -498.475225
Free energy at 298.15 K (Hartree): -498.52265
Heat capacity at 298.15 K (cal/mol K): 39.647
Atomization energy at 0 K (kcal/mol): -1877.1661906131
Atomization energy at 298.15 K (kcal/mol): -1889.089489122
Atomization enthalpy at 298.15 K (kcal/mol): -1900.94438915
Atomization free energy at 298.15 K (kcal/mol): -1736.200058817