Molecule SMILES: [NH3+]C(CCO)C([O-])=O
Rotational constants A, B, C (GHz): 4.02707, 1.17227, 0.99189
Dipole moment mu (Debye): 4.6286
Isotropic polarizability alpha (Bohr^3): 60.5
HOMO energy (Hartree): -0.246
LUMO energy (Hartree): 0.0236
HOMO-LUMO gap (Hartree): 0.2696
Electronic spatial extent r2 (Bohr^2): 1152.4262
Zero-point vibrational energy (Hartree): 0.142687
Internal energy at 0 K (Hartree): -438.165719
Internal energy at 298.15 K (Hartree): -438.157151
Enthalpy at 298.15 K (Hartree): -438.156207
Free energy at 298.15 K (Hartree): -438.199233
Heat capacity at 298.15 K (cal/mol K): 31.076
Atomization energy at 0 K (kcal/mol): -1567.8789271841
Atomization energy at 298.15 K (kcal/mol): -1577.610336756
Atomization enthalpy at 298.15 K (kcal/mol): -1587.0938802731
Atomization free energy at 298.15 K (kcal/mol): -1454.646810661