Molecule SMILES: C1CCOCC1
Rotational constants A, B, C (GHz): 4.66273, 4.48592, 2.58971
Dipole moment mu (Debye): 1.3202
Isotropic polarizability alpha (Bohr^3): 56.25
HOMO energy (Hartree): -0.2429
LUMO energy (Hartree): 0.0894
HOMO-LUMO gap (Hartree): 0.3324
Electronic spatial extent r2 (Bohr^2): 545.362
Zero-point vibrational energy (Hartree): 0.146029
Internal energy at 0 K (Hartree): -271.646263
Internal energy at 298.15 K (Hartree): -271.640803
Enthalpy at 298.15 K (Hartree): -271.639858
Free energy at 298.15 K (Hartree): -271.67485
Heat capacity at 298.15 K (cal/mol K): 21.275
Atomization energy at 0 K (kcal/mol): -1471.567590846
Atomization energy at 298.15 K (kcal/mol): -1482.361373155
Atomization enthalpy at 298.15 K (kcal/mol): -1491.252548176
Atomization free energy at 298.15 K (kcal/mol): -1367.632647667