Molecule SMILES: CC(O)C(O)(CO)CO
Rotational constants A, B, C (GHz): 1.84972, 1.39711, 1.10952
Dipole moment mu (Debye): 1.1897
Isotropic polarizability alpha (Bohr^3): 69.93
HOMO energy (Hartree): -0.2481
LUMO energy (Hartree): 0.0486
HOMO-LUMO gap (Hartree): 0.2968
Electronic spatial extent r2 (Bohr^2): 1227.9873
Zero-point vibrational energy (Hartree): 0.179691
Internal energy at 0 K (Hartree): -498.486795
Internal energy at 298.15 K (Hartree): -498.475926
Enthalpy at 298.15 K (Hartree): -498.474982
Free energy at 298.15 K (Hartree): -498.522195
Heat capacity at 298.15 K (cal/mol K): 40.463
Atomization energy at 0 K (kcal/mol): -1877.0946545871
Atomization energy at 298.15 K (kcal/mol): -1888.9370044351
Atomization enthalpy at 298.15 K (kcal/mol): -1900.7919044631
Atomization free energy at 298.15 K (kcal/mol): -1735.9145422221