Molecule SMILES: O=C1OCC2CCOC12
Rotational constants A, B, C (GHz): 2.58432, 1.84275, 1.29255
Dipole moment mu (Debye): 4.957
Isotropic polarizability alpha (Bohr^3): 66.53
HOMO energy (Hartree): -0.2508
LUMO energy (Hartree): 0.0014
HOMO-LUMO gap (Hartree): 0.2522
Electronic spatial extent r2 (Bohr^2): 979.7839
Zero-point vibrational energy (Hartree): 0.138867
Internal energy at 0 K (Hartree): -459.0084
Internal energy at 298.15 K (Hartree): -459.00118
Enthalpy at 298.15 K (Hartree): -459.000236
Free energy at 298.15 K (Hartree): -459.04115
Heat capacity at 298.15 K (cal/mol K): 27.09
Atomization energy at 0 K (kcal/mol): -1714.2585791231
Atomization energy at 298.15 K (kcal/mol): -1724.837125845
Atomization enthalpy at 298.15 K (kcal/mol): -1734.320041853
Atomization free energy at 298.15 K (kcal/mol): -1598.4135151241