Molecule SMILES: C1OC2C1C1OCOC21
Rotational constants A, B, C (GHz): 2.96222, 1.81962, 1.70949
Dipole moment mu (Debye): 2.0881
Isotropic polarizability alpha (Bohr^3): 65.8
HOMO energy (Hartree): -0.2394
LUMO energy (Hartree): 0.0549
HOMO-LUMO gap (Hartree): 0.2943
Electronic spatial extent r2 (Bohr^2): 868.5627
Zero-point vibrational energy (Hartree): 0.138378
Internal energy at 0 K (Hartree): -458.9131
Internal energy at 298.15 K (Hartree): -458.906503
Enthalpy at 298.15 K (Hartree): -458.905559
Free energy at 298.15 K (Hartree): -458.944183
Heat capacity at 298.15 K (cal/mol K): 25.997
Atomization energy at 0 K (kcal/mol): -1654.4569714231
Atomization energy at 298.15 K (kcal/mol): -1665.426456252
Atomization enthalpy at 298.15 K (kcal/mol): -1674.90937226
Atomization free energy at 298.15 K (kcal/mol): -1537.565849921