Molecule SMILES: CC(=O)N1CC(=O)C1
Rotational constants A, B, C (GHz): 5.30335, 1.28687, 1.06243
Dipole moment mu (Debye): 2.5844
Isotropic polarizability alpha (Bohr^3): 63.76
HOMO energy (Hartree): -0.2507
LUMO energy (Hartree): -0.0424
HOMO-LUMO gap (Hartree): 0.2083
Electronic spatial extent r2 (Bohr^2): 1052.6284
Zero-point vibrational energy (Hartree): 0.116768
Internal energy at 0 K (Hartree): -399.829824
Internal energy at 298.15 K (Hartree): -399.821658
Enthalpy at 298.15 K (Hartree): -399.820714
Free energy at 298.15 K (Hartree): -399.863288
Heat capacity at 298.15 K (cal/mol K): 28.21
Atomization energy at 0 K (kcal/mol): -1494.120264306
Atomization energy at 298.15 K (kcal/mol): -1502.327454517
Atomization enthalpy at 298.15 K (kcal/mol): -1510.625006024
Atomization free energy at 298.15 K (kcal/mol): -1394.483757777