Molecule SMILES: C(C(=O)N)C(=O)N
Rotational constants A, B, C (GHz): 5.24232, 1.81227, 1.43005
Dipole moment mu (Debye): 3.3056
Isotropic polarizability alpha (Bohr^3): 51.31
HOMO energy (Hartree): -0.2438
LUMO energy (Hartree): 0.0098
HOMO-LUMO gap (Hartree): 0.2536
Electronic spatial extent r2 (Bohr^2): 801.7128
Zero-point vibrational energy (Hartree): 0.101907
Internal energy at 0 K (Hartree): -377.848074
Internal energy at 298.15 K (Hartree): -377.840535
Enthalpy at 298.15 K (Hartree): -377.839591
Free energy at 298.15 K (Hartree): -377.880298
Heat capacity at 298.15 K (cal/mol K): 26.616
Atomization energy at 0 K (kcal/mol): -1260.81618316
Atomization energy at 298.15 K (kcal/mol): -1267.638461008
Atomization enthalpy at 298.15 K (kcal/mol): -1274.750648014
Atomization free energy at 298.15 K (kcal/mol): -1175.906057843