Molecule SMILES: [NH3+]C(C1CN1)C([O-])=O
Rotational constants A, B, C (GHz): 3.31011, 1.5757, 1.19465
Dipole moment mu (Debye): 4.1089
Isotropic polarizability alpha (Bohr^3): 60.6
HOMO energy (Hartree): -0.2539
LUMO energy (Hartree): 0.0113
HOMO-LUMO gap (Hartree): 0.2651
Electronic spatial extent r2 (Bohr^2): 991.4672
Zero-point vibrational energy (Hartree): 0.131655
Internal energy at 0 K (Hartree): -417.056296
Internal energy at 298.15 K (Hartree): -417.04829
Enthalpy at 298.15 K (Hartree): -417.047346
Free energy at 298.15 K (Hartree): -417.089372
Heat capacity at 298.15 K (cal/mol K): 28.945
Atomization energy at 0 K (kcal/mol): -1487.286691296
Atomization energy at 298.15 K (kcal/mol): -1496.4822081821
Atomization enthalpy at 298.15 K (kcal/mol): -1505.3727556941
Atomization free energy at 298.15 K (kcal/mol): -1380.4131234701