Molecule SMILES: CC(=O)N1CCC(=O)C1
Rotational constants A, B, C (GHz): 3.56365, 1.08679, 0.85767
Dipole moment mu (Debye): 1.0396
Isotropic polarizability alpha (Bohr^3): 73.65
HOMO energy (Hartree): -0.2442
LUMO energy (Hartree): -0.0351
HOMO-LUMO gap (Hartree): 0.2091
Electronic spatial extent r2 (Bohr^2): 1307.0898
Zero-point vibrational energy (Hartree): 0.146835
Internal energy at 0 K (Hartree): -439.148725
Internal energy at 298.15 K (Hartree): -439.139714
Enthalpy at 298.15 K (Hartree): -439.13877
Free energy at 298.15 K (Hartree): -439.183342
Heat capacity at 298.15 K (cal/mol K): 32.123
Atomization energy at 0 K (kcal/mol): -1790.0428410531
Atomization energy at 298.15 K (kcal/mol): -1800.3860719
Atomization enthalpy at 298.15 K (kcal/mol): -1810.461983913
Atomization free energy at 298.15 K (kcal/mol): -1668.631772224