Molecule SMILES: [NH3+]CC([O-])=O
Rotational constants A, B, C (GHz): 10.14389, 4.0714, 3.02223
Dipole moment mu (Debye): 5.3004
Isotropic polarizability alpha (Bohr^3): 35.19
HOMO energy (Hartree): -0.2527
LUMO energy (Hartree): 0.0208
HOMO-LUMO gap (Hartree): 0.2735
Electronic spatial extent r2 (Bohr^2): 408.0279
Zero-point vibrational energy (Hartree): 0.080317
Internal energy at 0 K (Hartree): -284.372483
Internal energy at 298.15 K (Hartree): -284.367172
Enthalpy at 298.15 K (Hartree): -284.366228
Free energy at 298.15 K (Hartree): -284.40095
Heat capacity at 298.15 K (cal/mol K): 17.931
Atomization energy at 0 K (kcal/mol): -919.021443495
Atomization energy at 298.15 K (kcal/mol): -924.575525654
Atomization enthalpy at 298.15 K (kcal/mol): -929.909979663
Atomization free energy at 298.15 K (kcal/mol): -857.00159148