Molecule SMILES: NC(=[NH2+])C(CO)C([O-])=O
Rotational constants A, B, C (GHz): 3.09999, 0.63111, 0.53961
Dipole moment mu (Debye): 1.9894
Isotropic polarizability alpha (Bohr^3): 70.06
HOMO energy (Hartree): -0.1914
LUMO energy (Hartree): 0.0455
HOMO-LUMO gap (Hartree): 0.2369
Electronic spatial extent r2 (Bohr^2): 1929.3764
Zero-point vibrational energy (Hartree): 0.132604
Internal energy at 0 K (Hartree): -492.329865
Internal energy at 298.15 K (Hartree): -492.318383
Enthalpy at 298.15 K (Hartree): -492.317439
Free energy at 298.15 K (Hartree): -492.370441
Heat capacity at 298.15 K (cal/mol K): 37.787
Atomization energy at 0 K (kcal/mol): -1618.429797206
Atomization energy at 298.15 K (kcal/mol): -1626.332645552
Atomization enthalpy at 298.15 K (kcal/mol): -1635.81556156
Atomization free energy at 298.15 K (kcal/mol): -1506.879404803