Molecule SMILES: C(C(=O)N)O
Rotational constants A, B, C (GHz): 10.20696, 3.93135, 2.9219
Dipole moment mu (Debye): 4.5676
Isotropic polarizability alpha (Bohr^3): 35.87
HOMO energy (Hartree): -0.246
LUMO energy (Hartree): 0.0273
HOMO-LUMO gap (Hartree): 0.2733
Electronic spatial extent r2 (Bohr^2): 418.5967
Zero-point vibrational energy (Hartree): 0.078222
Internal energy at 0 K (Hartree): -284.360325
Internal energy at 298.15 K (Hartree): -284.354148
Enthalpy at 298.15 K (Hartree): -284.353204
Free energy at 298.15 K (Hartree): -284.390143
Heat capacity at 298.15 K (cal/mol K): 20.089
Atomization energy at 0 K (kcal/mol): -911.392189073
Atomization energy at 298.15 K (kcal/mol): -916.402848438
Atomization enthalpy at 298.15 K (kcal/mol): -921.737302447
Atomization free energy at 298.15 K (kcal/mol): -850.220101717