Molecule SMILES: OC1C2OC1C1OCC21
Rotational constants A, B, C (GHz): 3.32462, 1.53034, 1.44459
Dipole moment mu (Debye): 1.7551
Isotropic polarizability alpha (Bohr^3): 65.88
HOMO energy (Hartree): -0.2521
LUMO energy (Hartree): 0.057
HOMO-LUMO gap (Hartree): 0.3091
Electronic spatial extent r2 (Bohr^2): 946.2171
Zero-point vibrational energy (Hartree): 0.138153
Internal energy at 0 K (Hartree): -458.901525
Internal energy at 298.15 K (Hartree): -458.894963
Enthalpy at 298.15 K (Hartree): -458.894019
Free energy at 298.15 K (Hartree): -458.93225
Heat capacity at 298.15 K (cal/mol K): 27.14
Atomization energy at 0 K (kcal/mol): -1647.1935547481
Atomization energy at 298.15 K (kcal/mol): -1658.1850023921
Atomization enthalpy at 298.15 K (kcal/mol): -1667.6679184001
Atomization free energy at 298.15 K (kcal/mol): -1530.077785024