Molecule SMILES: [NH3+]CC(OC=O)C([O-])=O
Rotational constants A, B, C (GHz): 1.87836, 1.43647, 0.84323
Dipole moment mu (Debye): 13.1538
Isotropic polarizability alpha (Bohr^3): 66.54
HOMO energy (Hartree): -0.1955
LUMO energy (Hartree): -0.0303
HOMO-LUMO gap (Hartree): 0.1653
Electronic spatial extent r2 (Bohr^2): 1287.152
Zero-point vibrational energy (Hartree): 0.12302
Internal energy at 0 K (Hartree): -512.146376
Internal energy at 298.15 K (Hartree): -512.136824
Enthalpy at 298.15 K (Hartree): -512.135879
Free energy at 298.15 K (Hartree): -512.182235
Heat capacity at 298.15 K (cal/mol K): 32.577
Atomization energy at 0 K (kcal/mol): -1515.5597368001
Atomization energy at 298.15 K (kcal/mol): -1523.7851247721
Atomization enthalpy at 298.15 K (kcal/mol): -1532.6744172661
Atomization free energy at 298.15 K (kcal/mol): -1407.7869485771