Molecule SMILES: C1OC2OCC1C1OC21
Rotational constants A, B, C (GHz): 2.60407, 1.98903, 1.97449
Dipole moment mu (Debye): 2.4002
Isotropic polarizability alpha (Bohr^3): 65.11
HOMO energy (Hartree): -0.2555
LUMO energy (Hartree): 0.081
HOMO-LUMO gap (Hartree): 0.3365
Electronic spatial extent r2 (Bohr^2): 829.1214
Zero-point vibrational energy (Hartree): 0.139203
Internal energy at 0 K (Hartree): -458.939391
Internal energy at 298.15 K (Hartree): -458.933151
Enthalpy at 298.15 K (Hartree): -458.932207
Free energy at 298.15 K (Hartree): -458.969711
Heat capacity at 298.15 K (cal/mol K): 25.94
Atomization energy at 0 K (kcal/mol): -1670.9548105421
Atomization energy at 298.15 K (kcal/mol): -1682.148316084
Atomization enthalpy at 298.15 K (kcal/mol): -1691.631232092
Atomization free energy at 298.15 K (kcal/mol): -1553.584899673