Molecule SMILES: C1CC2OC2C2OC12
Rotational constants A, B, C (GHz): 3.31155, 2.54, 1.78695
Dipole moment mu (Debye): 3.196
Isotropic polarizability alpha (Bohr^3): 62.68
HOMO energy (Hartree): -0.2652
LUMO energy (Hartree): 0.0632
HOMO-LUMO gap (Hartree): 0.3284
Electronic spatial extent r2 (Bohr^2): 756.4966
Zero-point vibrational energy (Hartree): 0.13249
Internal energy at 0 K (Hartree): -383.710023
Internal energy at 298.15 K (Hartree): -383.703893
Enthalpy at 298.15 K (Hartree): -383.702949
Free energy at 298.15 K (Hartree): -383.74007
Heat capacity at 298.15 K (cal/mol K): 24.554
Atomization energy at 0 K (kcal/mol): -1567.548229941
Atomization energy at 298.15 K (kcal/mol): -1577.922208729
Atomization enthalpy at 298.15 K (kcal/mol): -1586.812756241
Atomization free energy at 298.15 K (kcal/mol): -1459.390151192