Molecule SMILES: CC(=NO)C(O)CO
Rotational constants A, B, C (GHz): 3.60799, 1.21241, 0.97843
Dipole moment mu (Debye): 2.3481
Isotropic polarizability alpha (Bohr^3): 63.95
HOMO energy (Hartree): -0.255
LUMO energy (Hartree): -0.006
HOMO-LUMO gap (Hartree): 0.249
Electronic spatial extent r2 (Bohr^2): 1172.7686
Zero-point vibrational energy (Hartree): 0.139445
Internal energy at 0 K (Hartree): -438.087775
Internal energy at 298.15 K (Hartree): -438.078301
Enthalpy at 298.15 K (Hartree): -438.077357
Free energy at 298.15 K (Hartree): -438.122432
Heat capacity at 298.15 K (cal/mol K): 33.634
Atomization energy at 0 K (kcal/mol): -1518.9683656881
Atomization energy at 298.15 K (kcal/mol): -1528.131252106
Atomization enthalpy at 298.15 K (kcal/mol): -1537.614795623
Atomization free energy at 298.15 K (kcal/mol): -1406.453491952