Molecule SMILES: C(C(=O)NC(=O)CO)O
Rotational constants A, B, C (GHz): 5.18916, 0.70083, 0.62226
Dipole moment mu (Debye): 8.2783
Isotropic polarizability alpha (Bohr^3): 64.74
HOMO energy (Hartree): -0.2452
LUMO energy (Hartree): -0.0195
HOMO-LUMO gap (Hartree): 0.2257
Electronic spatial extent r2 (Bohr^2): 1694.3341
Zero-point vibrational energy (Hartree): 0.120228
Internal energy at 0 K (Hartree): -512.181461
Internal energy at 298.15 K (Hartree): -512.170782
Enthalpy at 298.15 K (Hartree): -512.169838
Free energy at 298.15 K (Hartree): -512.22054
Heat capacity at 298.15 K (cal/mol K): 34.784
Atomization energy at 0 K (kcal/mol): -1537.5758900651
Atomization energy at 298.15 K (kcal/mol): -1545.094075394
Atomization enthalpy at 298.15 K (kcal/mol): -1553.983995397
Atomization free energy at 298.15 K (kcal/mol): -1431.8236808221