Molecule SMILES: CC1OCC2OC1C2O
Rotational constants A, B, C (GHz): 2.5333, 1.58708, 1.27375
Dipole moment mu (Debye): 0.3372
Isotropic polarizability alpha (Bohr^3): 70.54
HOMO energy (Hartree): -0.2425
LUMO energy (Hartree): 0.0817
HOMO-LUMO gap (Hartree): 0.3242
Electronic spatial extent r2 (Bohr^2): 1058.5913
Zero-point vibrational energy (Hartree): 0.159908
Internal energy at 0 K (Hartree): -460.139699
Internal energy at 298.15 K (Hartree): -460.131766
Enthalpy at 298.15 K (Hartree): -460.130822
Free energy at 298.15 K (Hartree): -460.171783
Heat capacity at 298.15 K (cal/mol K): 31.391
Atomization energy at 0 K (kcal/mol): -1796.3072634001
Atomization energy at 298.15 K (kcal/mol): -1808.2155016931
Atomization enthalpy at 298.15 K (kcal/mol): -1818.8844097111
Atomization free energy at 298.15 K (kcal/mol): -1666.6733166351