Molecule SMILES: O=CC1COC1C1CC1
Rotational constants A, B, C (GHz): 2.26482, 1.32178, 0.90989
Dipole moment mu (Debye): 1.3017
Isotropic polarizability alpha (Bohr^3): 76.55
HOMO energy (Hartree): -0.2474
LUMO energy (Hartree): -0.0311
HOMO-LUMO gap (Hartree): 0.2163
Electronic spatial extent r2 (Bohr^2): 1290.5879
Zero-point vibrational energy (Hartree): 0.15827
Internal energy at 0 K (Hartree): -422.996086
Internal energy at 298.15 K (Hartree): -422.987233
Enthalpy at 298.15 K (Hartree): -422.986289
Free energy at 298.15 K (Hartree): -423.031119
Heat capacity at 298.15 K (cal/mol K): 31.813
Atomization energy at 0 K (kcal/mol): -1842.864666146
Atomization energy at 298.15 K (kcal/mol): -1854.1962236681
Atomization enthalpy at 298.15 K (kcal/mol): -1864.865131686
Atomization free energy at 298.15 K (kcal/mol): -1715.337267094