Molecule SMILES: C[NH2+]C(C(N)=O)C([O-])=O
Rotational constants A, B, C (GHz): 1.82295, 1.66659, 0.99564
Dipole moment mu (Debye): 5.4682
Isotropic polarizability alpha (Bohr^3): 66.12
HOMO energy (Hartree): -0.2383
LUMO energy (Hartree): 0.003
HOMO-LUMO gap (Hartree): 0.2413
Electronic spatial extent r2 (Bohr^2): 1190.0083
Zero-point vibrational energy (Hartree): 0.135132
Internal energy at 0 K (Hartree): -492.340558
Internal energy at 298.15 K (Hartree): -492.331489
Enthalpy at 298.15 K (Hartree): -492.330545
Free energy at 298.15 K (Hartree): -492.374758
Heat capacity at 298.15 K (cal/mol K): 32.619
Atomization energy at 0 K (kcal/mol): -1625.139750943
Atomization energy at 298.15 K (kcal/mol): -1634.556778506
Atomization enthalpy at 298.15 K (kcal/mol): -1644.039694514
Atomization free energy at 298.15 K (kcal/mol): -1509.588361156