Molecule SMILES: C(C(CO)C(=O)N)O
Rotational constants A, B, C (GHz): 2.75986, 1.65371, 1.10022
Dipole moment mu (Debye): 5.3816
Isotropic polarizability alpha (Bohr^3): 61.09
HOMO energy (Hartree): -0.2481
LUMO energy (Hartree): 0.0236
HOMO-LUMO gap (Hartree): 0.2717
Electronic spatial extent r2 (Bohr^2): 1049.1541
Zero-point vibrational energy (Hartree): 0.142009
Internal energy at 0 K (Hartree): -438.16484
Internal energy at 298.15 K (Hartree): -438.155998
Enthalpy at 298.15 K (Hartree): -438.155054
Free energy at 298.15 K (Hartree): -438.198565
Heat capacity at 298.15 K (cal/mol K): 32.173
Atomization energy at 0 K (kcal/mol): -1567.3273467731
Atomization energy at 298.15 K (kcal/mol): -1576.886818879
Atomization enthalpy at 298.15 K (kcal/mol): -1586.370362396
Atomization free energy at 298.15 K (kcal/mol): -1454.227634649