Molecule SMILES: [NH3+]C1(C(O)C1O)C([O-])=O
Rotational constants A, B, C (GHz): 2.68231, 1.21588, 1.14551
Dipole moment mu (Debye): 5.2391
Isotropic polarizability alpha (Bohr^3): 61.4
HOMO energy (Hartree): -0.2478
LUMO energy (Hartree): 0.0196
HOMO-LUMO gap (Hartree): 0.2675
Electronic spatial extent r2 (Bohr^2): 1120.4727
Zero-point vibrational energy (Hartree): 0.123598
Internal energy at 0 K (Hartree): -512.166218
Internal energy at 298.15 K (Hartree): -512.157314
Enthalpy at 298.15 K (Hartree): -512.15637
Free energy at 298.15 K (Hartree): -512.199611
Heat capacity at 298.15 K (cal/mol K): 33.322
Atomization energy at 0 K (kcal/mol): -1528.0107703781
Atomization energy at 298.15 K (kcal/mol): -1536.6427841821
Atomization enthalpy at 298.15 K (kcal/mol): -1545.5327041851
Atomization free energy at 298.15 K (kcal/mol): -1418.6905449611