Molecule SMILES: [NH3+]C(CO)C([O-])=O
Rotational constants A, B, C (GHz): 4.50558, 1.82152, 1.45995
Dipole moment mu (Debye): 4.4441
Isotropic polarizability alpha (Bohr^3): 49.68
HOMO energy (Hartree): -0.255
LUMO energy (Hartree): 0.0168
HOMO-LUMO gap (Hartree): 0.2719
Electronic spatial extent r2 (Bohr^2): 809.7984
Zero-point vibrational energy (Hartree): 0.113943
Internal energy at 0 K (Hartree): -398.876124
Internal energy at 298.15 K (Hartree): -398.868677
Enthalpy at 298.15 K (Hartree): -398.867733
Free energy at 298.15 K (Hartree): -398.907888
Heat capacity at 298.15 K (cal/mol K): 26.524
Atomization energy at 0 K (kcal/mol): -1290.3461291911
Atomization energy at 298.15 K (kcal/mol): -1298.114690611
Atomization enthalpy at 298.15 K (kcal/mol): -1305.819873622
Atomization free energy at 298.15 K (kcal/mol): -1198.513952095