Molecule SMILES: O=CC1OC1C1COC1
Rotational constants A, B, C (GHz): 3.34443, 1.02518, 0.92572
Dipole moment mu (Debye): 2.677
Isotropic polarizability alpha (Bohr^3): 69.7
HOMO energy (Hartree): -0.254
LUMO energy (Hartree): -0.0512
HOMO-LUMO gap (Hartree): 0.2029
Electronic spatial extent r2 (Bohr^2): 1277.8845
Zero-point vibrational energy (Hartree): 0.134333
Internal energy at 0 K (Hartree): -458.914511
Internal energy at 298.15 K (Hartree): -458.905903
Enthalpy at 298.15 K (Hartree): -458.904959
Free energy at 298.15 K (Hartree): -458.949442
Heat capacity at 298.15 K (cal/mol K): 29.836
Atomization energy at 0 K (kcal/mol): -1655.3423866221
Atomization energy at 298.15 K (kcal/mol): -1665.0499508521
Atomization enthalpy at 298.15 K (kcal/mol): -1674.5328668601
Atomization free energy at 298.15 K (kcal/mol): -1540.865919752