Molecule SMILES: [NH3+]CC(N1CC1)C([O-])=O
Rotational constants A, B, C (GHz): 2.39222, 0.71022, 0.62391
Dipole moment mu (Debye): 2.3879
Isotropic polarizability alpha (Bohr^3): 75.47
HOMO energy (Hartree): -0.2173
LUMO energy (Hartree): 0.0267
HOMO-LUMO gap (Hartree): 0.244
Electronic spatial extent r2 (Bohr^2): 1837.5082
Zero-point vibrational energy (Hartree): 0.151864
Internal energy at 0 K (Hartree): -456.352558
Internal energy at 298.15 K (Hartree): -456.339077
Enthalpy at 298.15 K (Hartree): -456.338133
Free energy at 298.15 K (Hartree): -456.395734
Heat capacity at 298.15 K (cal/mol K): 41.693
Atomization energy at 0 K (kcal/mol): -1769.003091792
Atomization energy at 298.15 K (kcal/mol): -1777.4292826441
Atomization enthalpy at 298.15 K (kcal/mol): -1788.0981906621
Atomization free energy at 298.15 K (kcal/mol): -1645.9692846891