Molecule SMILES: CCOC1CCOCC1
Rotational constants A, B, C (GHz): 4.12725, 0.8198, 0.72245
Dipole moment mu (Debye): 1.6391
Isotropic polarizability alpha (Bohr^3): 83.28
HOMO energy (Hartree): -0.247
LUMO energy (Hartree): 0.0871
HOMO-LUMO gap (Hartree): 0.334
Electronic spatial extent r2 (Bohr^2): 1635.1805
Zero-point vibrational energy (Hartree): 0.206407
Internal energy at 0 K (Hartree): -425.434056
Internal energy at 298.15 K (Hartree): -425.424607
Enthalpy at 298.15 K (Hartree): -425.423663
Free energy at 298.15 K (Hartree): -425.468934
Heat capacity at 298.15 K (cal/mol K): 35.272
Atomization energy at 0 K (kcal/mol): -2117.0095430481
Atomization energy at 298.15 K (kcal/mol): -2131.5213161821
Atomization enthalpy at 298.15 K (kcal/mol): -2144.56220822
Atomization free energy at 298.15 K (kcal/mol): -1962.6429565571