Molecule SMILES: O=C1OCC2OCOC12
Rotational constants A, B, C (GHz): 2.69316, 1.88846, 1.32696
Dipole moment mu (Debye): 3.5755
Isotropic polarizability alpha (Bohr^3): 59.78
HOMO energy (Hartree): -0.2623
LUMO energy (Hartree): -0.0107
HOMO-LUMO gap (Hartree): 0.2516
Electronic spatial extent r2 (Bohr^2): 927.0159
Zero-point vibrational energy (Hartree): 0.114662
Internal energy at 0 K (Hartree): -494.932534
Internal energy at 298.15 K (Hartree): -494.925563
Enthalpy at 298.15 K (Hartree): -494.924619
Free energy at 298.15 K (Hartree): -494.964797
Heat capacity at 298.15 K (cal/mol K): 25.576
Atomization energy at 0 K (kcal/mol): -1530.3187484801
Atomization energy at 298.15 K (kcal/mol): -1539.275811946
Atomization enthalpy at 298.15 K (kcal/mol): -1547.572735944
Atomization free energy at 298.15 K (kcal/mol): -1427.2830256981