Molecule SMILES: O=C1OCC1OC1CC1
Rotational constants A, B, C (GHz): 3.73509, 0.99071, 0.86203
Dipole moment mu (Debye): 3.4761
Isotropic polarizability alpha (Bohr^3): 69.06
HOMO energy (Hartree): -0.2541
LUMO energy (Hartree): -0.0024
HOMO-LUMO gap (Hartree): 0.2517
Electronic spatial extent r2 (Bohr^2): 1340.4332
Zero-point vibrational energy (Hartree): 0.135159
Internal energy at 0 K (Hartree): -458.952691
Internal energy at 298.15 K (Hartree): -458.944373
Enthalpy at 298.15 K (Hartree): -458.943429
Free energy at 298.15 K (Hartree): -458.98683
Heat capacity at 298.15 K (cal/mol K): 30.04
Atomization energy at 0 K (kcal/mol): -1679.3006802421
Atomization energy at 298.15 K (kcal/mol): -1689.1902220821
Atomization enthalpy at 298.15 K (kcal/mol): -1698.67313809
Atomization free energy at 298.15 K (kcal/mol): -1564.327226244