Molecule SMILES: OC1C2OCOC1C2O
Rotational constants A, B, C (GHz): 2.37591, 1.74613, 1.47585
Dipole moment mu (Debye): 2.6706
Isotropic polarizability alpha (Bohr^3): 62.64
HOMO energy (Hartree): -0.2407
LUMO energy (Hartree): 0.0513
HOMO-LUMO gap (Hartree): 0.2921
Electronic spatial extent r2 (Bohr^2): 952.2396
Zero-point vibrational energy (Hartree): 0.136431
Internal energy at 0 K (Hartree): -496.055959
Internal energy at 298.15 K (Hartree): -496.048071
Enthalpy at 298.15 K (Hartree): -496.047127
Free energy at 298.15 K (Hartree): -496.088085
Heat capacity at 298.15 K (cal/mol K): 30.48
Atomization energy at 0 K (kcal/mol): -1607.4264268911
Atomization energy at 298.15 K (kcal/mol): -1617.585170092
Atomization enthalpy at 298.15 K (kcal/mol): -1627.0680861
Atomization free energy at 298.15 K (kcal/mol): -1490.9337736041