Molecule SMILES: CC1OC1C1OC1C
Rotational constants A, B, C (GHz): 4.52873, 1.22287, 1.06159
Dipole moment mu (Debye): 0.0026
Isotropic polarizability alpha (Bohr^3): 69.38
HOMO energy (Hartree): -0.2604
LUMO energy (Hartree): 0.0734
HOMO-LUMO gap (Hartree): 0.3338
Electronic spatial extent r2 (Bohr^2): 1152.1325
Zero-point vibrational energy (Hartree): 0.151606
Internal energy at 0 K (Hartree): -384.902855
Internal energy at 298.15 K (Hartree): -384.894226
Enthalpy at 298.15 K (Hartree): -384.893281
Free energy at 298.15 K (Hartree): -384.936785
Heat capacity at 298.15 K (cal/mol K): 30.931
Atomization energy at 0 K (kcal/mol): -1688.209425515
Atomization energy at 298.15 K (kcal/mol): -1698.7923648
Atomization enthalpy at 298.15 K (kcal/mol): -1708.868276813
Atomization free energy at 298.15 K (kcal/mol): -1569.117002441