Molecule SMILES: C(C(=O)NC(=O)N)O
Rotational constants A, B, C (GHz): 5.69697, 1.07411, 0.91695
Dipole moment mu (Debye): 5.9599
Isotropic polarizability alpha (Bohr^3): 56.52
HOMO energy (Hartree): -0.2653
LUMO energy (Hartree): -0.0172
HOMO-LUMO gap (Hartree): 0.2481
Electronic spatial extent r2 (Bohr^2): 1179.607
Zero-point vibrational energy (Hartree): 0.1063
Internal energy at 0 K (Hartree): -453.054346
Internal energy at 298.15 K (Hartree): -453.045792
Enthalpy at 298.15 K (Hartree): -453.044848
Free energy at 298.15 K (Hartree): -453.088295
Heat capacity at 298.15 K (cal/mol K): 29.797
Atomization energy at 0 K (kcal/mol): -1349.729815897
Atomization energy at 298.15 K (kcal/mol): -1356.803724854
Atomization enthalpy at 298.15 K (kcal/mol): -1364.508280356
Atomization free energy at 298.15 K (kcal/mol): -1256.519001528