Molecule SMILES: C[NH2+]CC(=NO)C([O-])=O
Rotational constants A, B, C (GHz): 2.30809, 1.1573, 0.83532
Dipole moment mu (Debye): 14.5872
Isotropic polarizability alpha (Bohr^3): 71.4
HOMO energy (Hartree): -0.1776
LUMO energy (Hartree): -0.0153
HOMO-LUMO gap (Hartree): 0.1622
Electronic spatial extent r2 (Bohr^2): 1360.0395
Zero-point vibrational energy (Hartree): 0.134314
Internal energy at 0 K (Hartree): -492.198403
Internal energy at 298.15 K (Hartree): -492.188577
Enthalpy at 298.15 K (Hartree): -492.187633
Free energy at 298.15 K (Hartree): -492.234644
Heat capacity at 298.15 K (cal/mol K): 34.022
Atomization energy at 0 K (kcal/mol): -1535.936209048
Atomization energy at 298.15 K (kcal/mol): -1544.878212298
Atomization enthalpy at 298.15 K (kcal/mol): -1554.3611283061
Atomization free energy at 298.15 K (kcal/mol): -1421.66556513