Molecule SMILES: NC(C[NH3+])C([O-])=O
Rotational constants A, B, C (GHz): 3.5601, 2.31053, 1.72325
Dipole moment mu (Debye): 4.6037
Isotropic polarizability alpha (Bohr^3): 52.84
HOMO energy (Hartree): -0.2468
LUMO energy (Hartree): 0.0186
HOMO-LUMO gap (Hartree): 0.2654
Electronic spatial extent r2 (Bohr^2): 753.4158
Zero-point vibrational energy (Hartree): 0.126811
Internal energy at 0 K (Hartree): -379.000257
Internal energy at 298.15 K (Hartree): -378.992753
Enthalpy at 298.15 K (Hartree): -378.991808
Free energy at 298.15 K (Hartree): -379.032085
Heat capacity at 298.15 K (cal/mol K): 27.099
Atomization energy at 0 K (kcal/mol): -1355.969765393
Atomization energy at 298.15 K (kcal/mol): -1364.591111544
Atomization enthalpy at 298.15 K (kcal/mol): -1372.888663051
Atomization free energy at 298.15 K (kcal/mol): -1257.44018474