Molecule SMILES: CC(O)C(O)CO
Rotational constants A, B, C (GHz): 4.34993, 1.72441, 1.31556
Dipole moment mu (Debye): 1.4463
Isotropic polarizability alpha (Bohr^3): 56.67
HOMO energy (Hartree): -0.2598
LUMO energy (Hartree): 0.0616
HOMO-LUMO gap (Hartree): 0.3214
Electronic spatial extent r2 (Bohr^2): 909.1521
Zero-point vibrational energy (Hartree): 0.14615
Internal energy at 0 K (Hartree): -383.982605
Internal energy at 298.15 K (Hartree): -383.973862
Enthalpy at 298.15 K (Hartree): -383.972918
Free energy at 298.15 K (Hartree): -384.015368
Heat capacity at 298.15 K (cal/mol K): 31.438
Atomization energy at 0 K (kcal/mol): -1505.42546645
Atomization energy at 298.15 K (kcal/mol): -1515.047061947
Atomization enthalpy at 298.15 K (kcal/mol): -1524.531232973
Atomization free energy at 298.15 K (kcal/mol): -1394.471835106