Molecule SMILES: OCC1OCOCC1O
Rotational constants A, B, C (GHz): 2.71561, 1.3122, 1.02318
Dipole moment mu (Debye): 2.061
Isotropic polarizability alpha (Bohr^3): 66.99
HOMO energy (Hartree): -0.2511
LUMO energy (Hartree): 0.078
HOMO-LUMO gap (Hartree): 0.3291
Electronic spatial extent r2 (Bohr^2): 1183.3673
Zero-point vibrational energy (Hartree): 0.160185
Internal energy at 0 K (Hartree): -497.291159
Internal energy at 298.15 K (Hartree): -497.282564
Enthalpy at 298.15 K (Hartree): -497.28162
Free energy at 298.15 K (Hartree): -497.324295
Heat capacity at 298.15 K (cal/mol K): 32.688
Atomization energy at 0 K (kcal/mol): -1754.6739237771
Atomization energy at 298.15 K (kcal/mol): -1766.166123603
Atomization enthalpy at 298.15 K (kcal/mol): -1776.835031621
Atomization free energy at 298.15 K (kcal/mol): -1625.4440928081