Molecule SMILES: [NH3+]C(C(O)CO)C([O-])=O
Rotational constants A, B, C (GHz): 2.50805, 1.18462, 0.86411
Dipole moment mu (Debye): 4.1304
Isotropic polarizability alpha (Bohr^3): 64.07
HOMO energy (Hartree): -0.2535
LUMO energy (Hartree): 0.0087
HOMO-LUMO gap (Hartree): 0.2621
Electronic spatial extent r2 (Bohr^2): 1298.0612
Zero-point vibrational energy (Hartree): 0.14745
Internal energy at 0 K (Hartree): -513.385462
Internal energy at 298.15 K (Hartree): -513.376063
Enthalpy at 298.15 K (Hartree): -513.375118
Free energy at 298.15 K (Hartree): -513.420012
Heat capacity at 298.15 K (cal/mol K): 34.683
Atomization energy at 0 K (kcal/mol): -1665.2457336601
Atomization energy at 298.15 K (kcal/mol): -1675.3442359971
Atomization enthalpy at 298.15 K (kcal/mol): -1685.4195205011
Atomization free energy at 298.15 K (kcal/mol): -1543.2805743841