Molecule SMILES: CCOCC1COC1C
Rotational constants A, B, C (GHz): 3.78273, 0.72811, 0.65365
Dipole moment mu (Debye): 1.9911
Isotropic polarizability alpha (Bohr^3): 83.39
HOMO energy (Hartree): -0.2406
LUMO energy (Hartree): 0.0854
HOMO-LUMO gap (Hartree): 0.326
Electronic spatial extent r2 (Bohr^2): 1806.0393
Zero-point vibrational energy (Hartree): 0.203805
Internal energy at 0 K (Hartree): -425.404349
Internal energy at 298.15 K (Hartree): -425.393794
Enthalpy at 298.15 K (Hartree): -425.39285
Free energy at 298.15 K (Hartree): -425.44127
Heat capacity at 298.15 K (cal/mol K): 37.121
Atomization energy at 0 K (kcal/mol): -2098.3681331851
Atomization energy at 298.15 K (kcal/mol): -2112.1858813651
Atomization enthalpy at 298.15 K (kcal/mol): -2125.226773403
Atomization free energy at 298.15 K (kcal/mol): -1945.283547581