Molecule SMILES: C1OC1C1OCCO1
Rotational constants A, B, C (GHz): 4.83529, 1.51846, 1.36424
Dipole moment mu (Debye): 2.8043
Isotropic polarizability alpha (Bohr^3): 60.11
HOMO energy (Hartree): -0.2505
LUMO energy (Hartree): 0.0881
HOMO-LUMO gap (Hartree): 0.3387
Electronic spatial extent r2 (Bohr^2): 920.8527
Zero-point vibrational energy (Hartree): 0.130887
Internal energy at 0 K (Hartree): -420.843526
Internal energy at 298.15 K (Hartree): -420.836263
Enthalpy at 298.15 K (Hartree): -420.835319
Free energy at 298.15 K (Hartree): -420.876348
Heat capacity at 298.15 K (cal/mol K): 25.77
Atomization energy at 0 K (kcal/mol): -1514.6467112051
Atomization energy at 298.15 K (kcal/mol): -1524.309094787
Atomization enthalpy at 298.15 K (kcal/mol): -1533.1996422991
Atomization free energy at 298.15 K (kcal/mol): -1407.9739462591