Molecule SMILES: O=COC1C2OCOC12
Rotational constants A, B, C (GHz): 3.23414, 1.31316, 1.21212
Dipole moment mu (Debye): 3.943
Isotropic polarizability alpha (Bohr^3): 61.16
HOMO energy (Hartree): -0.2483
LUMO energy (Hartree): -0.0015
HOMO-LUMO gap (Hartree): 0.2468
Electronic spatial extent r2 (Bohr^2): 1035.8885
Zero-point vibrational energy (Hartree): 0.111929
Internal energy at 0 K (Hartree): -494.875896
Internal energy at 298.15 K (Hartree): -494.868131
Enthalpy at 298.15 K (Hartree): -494.867187
Free energy at 298.15 K (Hartree): -494.909119
Heat capacity at 298.15 K (cal/mol K): 27.4
Atomization energy at 0 K (kcal/mol): -1494.7778937381
Atomization energy at 298.15 K (kcal/mol): -1503.2367150581
Atomization enthalpy at 298.15 K (kcal/mol): -1511.5336390561
Atomization free energy at 298.15 K (kcal/mol): -1392.344579596