Molecule SMILES: C1OCC2OC2C2OC12
Rotational constants A, B, C (GHz): 2.48734, 1.98775, 1.32592
Dipole moment mu (Debye): 2.2673
Isotropic polarizability alpha (Bohr^3): 67.19
HOMO energy (Hartree): -0.2529
LUMO energy (Hartree): 0.0502
HOMO-LUMO gap (Hartree): 0.3031
Electronic spatial extent r2 (Bohr^2): 956.5102
Zero-point vibrational energy (Hartree): 0.13732
Internal energy at 0 K (Hartree): -458.906464
Internal energy at 298.15 K (Hartree): -458.899405
Enthalpy at 298.15 K (Hartree): -458.898461
Free energy at 298.15 K (Hartree): -458.937832
Heat capacity at 298.15 K (cal/mol K): 27.793
Atomization energy at 0 K (kcal/mol): -1650.2928216991
Atomization energy at 298.15 K (kcal/mol): -1660.97239737
Atomization enthalpy at 298.15 K (kcal/mol): -1670.4553133781
Atomization free energy at 298.15 K (kcal/mol): -1533.580540262