Molecule SMILES: O=CC1C2OC2C2OC12
Rotational constants A, B, C (GHz): 3.15136, 1.50602, 1.22355
Dipole moment mu (Debye): 3.9886
Isotropic polarizability alpha (Bohr^3): 64.27
HOMO energy (Hartree): -0.2505
LUMO energy (Hartree): -0.0295
HOMO-LUMO gap (Hartree): 0.221
Electronic spatial extent r2 (Bohr^2): 991.9014
Zero-point vibrational energy (Hartree): 0.112074
Internal energy at 0 K (Hartree): -457.72366
Internal energy at 298.15 K (Hartree): -457.716555
Enthalpy at 298.15 K (Hartree): -457.715611
Free energy at 298.15 K (Hartree): -457.755809
Heat capacity at 298.15 K (cal/mol K): 26.748
Atomization energy at 0 K (kcal/mol): -1535.9242863771
Atomization energy at 298.15 K (kcal/mol): -1544.7978911461
Atomization enthalpy at 298.15 K (kcal/mol): -1553.0948151441
Atomization free energy at 298.15 K (kcal/mol): -1433.073051241