Molecule SMILES: [NH3+]CC(O)C([O-])=O
Rotational constants A, B, C (GHz): 3.75243, 2.21217, 1.74956
Dipole moment mu (Debye): 3.9333
Isotropic polarizability alpha (Bohr^3): 49.1
HOMO energy (Hartree): -0.2534
LUMO energy (Hartree): 0.0125
HOMO-LUMO gap (Hartree): 0.2659
Electronic spatial extent r2 (Bohr^2): 738.2968
Zero-point vibrational energy (Hartree): 0.114401
Internal energy at 0 K (Hartree): -398.880824
Internal energy at 298.15 K (Hartree): -398.873593
Enthalpy at 298.15 K (Hartree): -398.872648
Free energy at 298.15 K (Hartree): -398.912502
Heat capacity at 298.15 K (cal/mol K): 25.922
Atomization energy at 0 K (kcal/mol): -1293.2954214911
Atomization energy at 298.15 K (kcal/mol): -1301.1995248551
Atomization enthalpy at 298.15 K (kcal/mol): -1308.9040803571
Atomization free energy at 298.15 K (kcal/mol): -1201.4092786211