Molecule SMILES: C1C2OCOC12
Rotational constants A, B, C (GHz): 6.42281, 4.72462, 3.44212
Dipole moment mu (Debye): 1.059
Isotropic polarizability alpha (Bohr^3): 44.8
HOMO energy (Hartree): -0.2313
LUMO energy (Hartree): 0.0896
HOMO-LUMO gap (Hartree): 0.3209
Electronic spatial extent r2 (Bohr^2): 425.5561
Zero-point vibrational energy (Hartree): 0.097684
Internal energy at 0 K (Hartree): -306.33485
Internal energy at 298.15 K (Hartree): -306.330075
Enthalpy at 298.15 K (Hartree): -306.329131
Free energy at 298.15 K (Hartree): -306.362777
Heat capacity at 298.15 K (cal/mol K): 17.914
Atomization energy at 0 K (kcal/mol): -1140.162517694
Atomization energy at 298.15 K (kcal/mol): -1147.831305183
Atomization enthalpy at 298.15 K (kcal/mol): -1154.351123693
Atomization free energy at 298.15 K (kcal/mol): -1062.299318447