Molecule SMILES: C1C2OC3OC1C1C2C31
Rotational constants A, B, C (GHz): 2.46025, 2.45902, 2.4387
Dipole moment mu (Debye): 2.4282
Isotropic polarizability alpha (Bohr^3): 67.61
HOMO energy (Hartree): -0.2443
LUMO energy (Hartree): 0.0795
HOMO-LUMO gap (Hartree): 0.3238
Electronic spatial extent r2 (Bohr^2): 753.8768
Zero-point vibrational energy (Hartree): 0.141122
Internal energy at 0 K (Hartree): -421.837759
Internal energy at 298.15 K (Hartree): -421.832601
Enthalpy at 298.15 K (Hartree): -421.831656
Free energy at 298.15 K (Hartree): -421.866954
Heat capacity at 298.15 K (cal/mol K): 23.558
Atomization energy at 0 K (kcal/mol): -1743.8556686171
Atomization energy at 298.15 K (kcal/mol): -1755.7287664061
Atomization enthalpy at 298.15 K (kcal/mol): -1765.211054905
Atomization free energy at 298.15 K (kcal/mol): -1626.035833795