Molecule SMILES: C(C(C(=O)N)C(=O)N)O
Rotational constants A, B, C (GHz): 2.03551, 1.50384, 0.9137
Dipole moment mu (Debye): 3.127
Isotropic polarizability alpha (Bohr^3): 65.8
HOMO energy (Hartree): -0.2462
LUMO energy (Hartree): 0.015
HOMO-LUMO gap (Hartree): 0.2611
Electronic spatial extent r2 (Bohr^2): 1226.8559
Zero-point vibrational energy (Hartree): 0.136062
Internal energy at 0 K (Hartree): -492.350361
Internal energy at 298.15 K (Hartree): -492.341026
Enthalpy at 298.15 K (Hartree): -492.340082
Free energy at 298.15 K (Hartree): -492.38513
Heat capacity at 298.15 K (cal/mol K): 34.54
Atomization energy at 0 K (kcal/mol): -1631.2912216701
Atomization energy at 298.15 K (kcal/mol): -1640.541331839
Atomization enthalpy at 298.15 K (kcal/mol): -1650.024247847
Atomization free energy at 298.15 K (kcal/mol): -1516.096884504