Molecule SMILES: C1OC2OC1CC1OC21
Rotational constants A, B, C (GHz): 2.93376, 1.92351, 1.59374
Dipole moment mu (Debye): 2.4864
Isotropic polarizability alpha (Bohr^3): 65.27
HOMO energy (Hartree): -0.2538
LUMO energy (Hartree): 0.0756
HOMO-LUMO gap (Hartree): 0.3295
Electronic spatial extent r2 (Bohr^2): 875.4393
Zero-point vibrational energy (Hartree): 0.139005
Internal energy at 0 K (Hartree): -458.951012
Internal energy at 298.15 K (Hartree): -458.944613
Enthalpy at 298.15 K (Hartree): -458.943669
Free energy at 298.15 K (Hartree): -458.981676
Heat capacity at 298.15 K (cal/mol K): 26.04
Atomization energy at 0 K (kcal/mol): -1678.2470926311
Atomization energy at 298.15 K (kcal/mol): -1689.340824242
Atomization enthalpy at 298.15 K (kcal/mol): -1698.82374025
Atomization free energy at 298.15 K (kcal/mol): -1561.093044858