Molecule SMILES: O1C2C1C1OC2C2OC12
Rotational constants A, B, C (GHz): 3.40772, 1.91172, 1.84206
Dipole moment mu (Debye): 2.009
Isotropic polarizability alpha (Bohr^3): 60.88
HOMO energy (Hartree): -0.2487
LUMO energy (Hartree): 0.0622
HOMO-LUMO gap (Hartree): 0.3109
Electronic spatial extent r2 (Bohr^2): 788.1014
Zero-point vibrational energy (Hartree): 0.114539
Internal energy at 0 K (Hartree): -457.695424
Internal energy at 298.15 K (Hartree): -457.689816
Enthalpy at 298.15 K (Hartree): -457.688872
Free energy at 298.15 K (Hartree): -457.725132
Heat capacity at 298.15 K (cal/mol K): 24.015
Atomization energy at 0 K (kcal/mol): -1518.2059422531
Atomization energy at 298.15 K (kcal/mol): -1528.0189279951
Atomization enthalpy at 298.15 K (kcal/mol): -1536.3158519931
Atomization free energy at 298.15 K (kcal/mol): -1413.822957648