Molecule SMILES: OCC1OC1C1COC1
Rotational constants A, B, C (GHz): 4.31995, 0.78925, 0.73494
Dipole moment mu (Debye): 0.5421
Isotropic polarizability alpha (Bohr^3): 71.87
HOMO energy (Hartree): -0.2538
LUMO energy (Hartree): 0.0708
HOMO-LUMO gap (Hartree): 0.3246
Electronic spatial extent r2 (Bohr^2): 1543.2904
Zero-point vibrational energy (Hartree): 0.158402
Internal energy at 0 K (Hartree): -460.104035
Internal energy at 298.15 K (Hartree): -460.094819
Enthalpy at 298.15 K (Hartree): -460.093875
Free energy at 298.15 K (Hartree): -460.140171
Heat capacity at 298.15 K (cal/mol K): 32.302
Atomization energy at 0 K (kcal/mol): -1773.9277824241
Atomization energy at 298.15 K (kcal/mol): -1785.03092667
Atomization enthalpy at 298.15 K (kcal/mol): -1795.699834688
Atomization free energy at 298.15 K (kcal/mol): -1646.8365021271