Molecule SMILES: [NH3+]C1CCC1(O)C([O-])=O
Rotational constants A, B, C (GHz): 2.45554, 1.35705, 1.21955
Dipole moment mu (Debye): 4.983
Isotropic polarizability alpha (Bohr^3): 67.43
HOMO energy (Hartree): -0.2482
LUMO energy (Hartree): 0.0158
HOMO-LUMO gap (Hartree): 0.2641
Electronic spatial extent r2 (Bohr^2): 1109.4788
Zero-point vibrational energy (Hartree): 0.148245
Internal energy at 0 K (Hartree): -476.249047
Internal energy at 298.15 K (Hartree): -476.240414
Enthalpy at 298.15 K (Hartree): -476.239469
Free energy at 298.15 K (Hartree): -476.282432
Heat capacity at 298.15 K (cal/mol K): 32.906
Atomization energy at 0 K (kcal/mol): -1716.3199461881
Atomization energy at 298.15 K (kcal/mol): -1726.899747928
Atomization enthalpy at 298.15 K (kcal/mol): -1736.9750324321
Atomization free energy at 298.15 K (kcal/mol): -1593.879762599