Molecule SMILES: C[NH2+]CC(=O)C([O-])=O
Rotational constants A, B, C (GHz): 5.01569, 1.07291, 1.02823
Dipole moment mu (Debye): 12.9178
Isotropic polarizability alpha (Bohr^3): 61.67
HOMO energy (Hartree): -0.1976
LUMO energy (Hartree): -0.0208
HOMO-LUMO gap (Hartree): 0.1768
Electronic spatial extent r2 (Bohr^2): 1155.6876
Zero-point vibrational energy (Hartree): 0.117031
Internal energy at 0 K (Hartree): -436.91929
Internal energy at 298.15 K (Hartree): -436.910797
Enthalpy at 298.15 K (Hartree): -436.909853
Free energy at 298.15 K (Hartree): -436.953531
Heat capacity at 298.15 K (cal/mol K): 28.7
Atomization energy at 0 K (kcal/mol): -1413.5851317371
Atomization energy at 298.15 K (kcal/mol): -1421.586498996
Atomization enthalpy at 298.15 K (kcal/mol): -1429.8840505031
Atomization free energy at 298.15 K (kcal/mol): -1314.180176029