Molecule SMILES: [NH3+]C(CC1CN1)C([O-])=O
Rotational constants A, B, C (GHz): 3.44507, 0.85506, 0.74414
Dipole moment mu (Debye): 3.9034
Isotropic polarizability alpha (Bohr^3): 71.68
HOMO energy (Hartree): -0.2518
LUMO energy (Hartree): 0.0142
HOMO-LUMO gap (Hartree): 0.2661
Electronic spatial extent r2 (Bohr^2): 1515.8598
Zero-point vibrational energy (Hartree): 0.160079
Internal energy at 0 K (Hartree): -456.347035
Internal energy at 298.15 K (Hartree): -456.337748
Enthalpy at 298.15 K (Hartree): -456.336804
Free energy at 298.15 K (Hartree): -456.382317
Heat capacity at 298.15 K (cal/mol K): 33.735
Atomization energy at 0 K (kcal/mol): -1765.5373595851
Atomization energy at 298.15 K (kcal/mol): -1776.5953231831
Atomization enthalpy at 298.15 K (kcal/mol): -1787.264231201
Atomization free energy at 298.15 K (kcal/mol): -1637.5499964361