Molecule SMILES: O=CC1CCCCO1
Rotational constants A, B, C (GHz): 4.23469, 1.4573, 1.15082
Dipole moment mu (Debye): 2.8905
Isotropic polarizability alpha (Bohr^3): 68.26
HOMO energy (Hartree): -0.2525
LUMO energy (Hartree): -0.0261
HOMO-LUMO gap (Hartree): 0.2265
Electronic spatial extent r2 (Bohr^2): 1032.0205
Zero-point vibrational energy (Hartree): 0.154404
Internal energy at 0 K (Hartree): -384.961353
Internal energy at 298.15 K (Hartree): -384.953756
Enthalpy at 298.15 K (Hartree): -384.952812
Free energy at 298.15 K (Hartree): -384.993672
Heat capacity at 298.15 K (cal/mol K): 28.292
Atomization energy at 0 K (kcal/mol): -1724.917446997
Atomization energy at 298.15 K (kcal/mol): -1736.14797557
Atomization enthalpy at 298.15 K (kcal/mol): -1746.224515092
Atomization free energy at 298.15 K (kcal/mol): -1604.814106924