Molecule SMILES: [NH3+]C(C1CCC1)C([O-])=O
Rotational constants A, B, C (GHz): 2.69745, 1.1962, 0.99183
Dipole moment mu (Debye): 4.8846
Isotropic polarizability alpha (Bohr^3): 74.59
HOMO energy (Hartree): -0.2495
LUMO energy (Hartree): 0.0162
HOMO-LUMO gap (Hartree): 0.2657
Electronic spatial extent r2 (Bohr^2): 1261.5529
Zero-point vibrational energy (Hartree): 0.172208
Internal energy at 0 K (Hartree): -440.307942
Internal energy at 298.15 K (Hartree): -440.298946
Enthalpy at 298.15 K (Hartree): -440.298002
Free energy at 298.15 K (Hartree): -440.34241
Heat capacity at 298.15 K (cal/mol K): 33.601
Atomization energy at 0 K (kcal/mol): -1889.6103215921
Atomization energy at 298.15 K (kcal/mol): -1901.7400705621
Atomization enthalpy at 298.15 K (kcal/mol): -1913.0019745851
Atomization free energy at 298.15 K (kcal/mol): -1754.7347921501