Molecule SMILES: CC1OCOC11CC1O
Rotational constants A, B, C (GHz): 2.38079, 1.482, 1.23241
Dipole moment mu (Debye): 2.1345
Isotropic polarizability alpha (Bohr^3): 71.5
HOMO energy (Hartree): -0.2424
LUMO energy (Hartree): 0.0711
HOMO-LUMO gap (Hartree): 0.3136
Electronic spatial extent r2 (Bohr^2): 1104.2069
Zero-point vibrational energy (Hartree): 0.158248
Internal energy at 0 K (Hartree): -460.140576
Internal energy at 298.15 K (Hartree): -460.131789
Enthalpy at 298.15 K (Hartree): -460.130845
Free energy at 298.15 K (Hartree): -460.174452
Heat capacity at 298.15 K (cal/mol K): 33.108
Atomization energy at 0 K (kcal/mol): -1796.8575887931
Atomization energy at 298.15 K (kcal/mol): -1808.2299344
Atomization enthalpy at 298.15 K (kcal/mol): -1818.898842418
Atomization free energy at 298.15 K (kcal/mol): -1668.348138156