Molecule SMILES: O=CC1CCCOCO1
Rotational constants A, B, C (GHz): 3.19, 1.15469, 0.90867
Dipole moment mu (Debye): 2.642
Isotropic polarizability alpha (Bohr^3): 71.96
HOMO energy (Hartree): -0.2559
LUMO energy (Hartree): -0.0302
HOMO-LUMO gap (Hartree): 0.2257
Electronic spatial extent r2 (Bohr^2): 1268.1272
Zero-point vibrational energy (Hartree): 0.159336
Internal energy at 0 K (Hartree): -460.166786
Internal energy at 298.15 K (Hartree): -460.158202
Enthalpy at 298.15 K (Hartree): -460.157258
Free energy at 298.15 K (Hartree): -460.200652
Heat capacity at 298.15 K (cal/mol K): 31.444
Atomization energy at 0 K (kcal/mol): -1813.3045996831
Atomization energy at 298.15 K (kcal/mol): -1824.8043296171
Atomization enthalpy at 298.15 K (kcal/mol): -1835.4732376351
Atomization free energy at 298.15 K (kcal/mol): -1684.7888739561