Molecule SMILES: [O-]C(=O)C[NH+]1CCCC1
Rotational constants A, B, C (GHz): 3.66633, 0.92026, 0.91395
Dipole moment mu (Debye): 5.4589
Isotropic polarizability alpha (Bohr^3): 74.71
HOMO energy (Hartree): -0.2429
LUMO energy (Hartree): 0.0215
HOMO-LUMO gap (Hartree): 0.2644
Electronic spatial extent r2 (Bohr^2): 1368.5996
Zero-point vibrational energy (Hartree): 0.172894
Internal energy at 0 K (Hartree): -440.322724
Internal energy at 298.15 K (Hartree): -440.314045
Enthalpy at 298.15 K (Hartree): -440.313101
Free energy at 298.15 K (Hartree): -440.357406
Heat capacity at 298.15 K (cal/mol K): 31.813
Atomization energy at 0 K (kcal/mol): -1898.88615963
Atomization energy at 298.15 K (kcal/mol): -1911.214828953
Atomization enthalpy at 298.15 K (kcal/mol): -1922.476732976
Atomization free energy at 298.15 K (kcal/mol): -1764.144917114