Molecule SMILES: OC1C2OCOCC12O
Rotational constants A, B, C (GHz): 2.22154, 1.75165, 1.4677
Dipole moment mu (Debye): 1.4463
Isotropic polarizability alpha (Bohr^3): 63.27
HOMO energy (Hartree): -0.2335
LUMO energy (Hartree): 0.0615
HOMO-LUMO gap (Hartree): 0.295
Electronic spatial extent r2 (Bohr^2): 968.8815
Zero-point vibrational energy (Hartree): 0.135779
Internal energy at 0 K (Hartree): -496.062013
Internal energy at 298.15 K (Hartree): -496.053895
Enthalpy at 298.15 K (Hartree): -496.052951
Free energy at 298.15 K (Hartree): -496.09429
Heat capacity at 298.15 K (cal/mol K): 31.271
Atomization energy at 0 K (kcal/mol): -1611.2253663771
Atomization energy at 298.15 K (kcal/mol): -1621.239782508
Atomization enthalpy at 298.15 K (kcal/mol): -1630.722698516
Atomization free energy at 298.15 K (kcal/mol): -1494.8274669491