Molecule SMILES: C1OCC2OC1C1OC21
Rotational constants A, B, C (GHz): 3.04924, 1.85696, 1.63689
Dipole moment mu (Debye): 1.5523
Isotropic polarizability alpha (Bohr^3): 65.8
HOMO energy (Hartree): -0.2411
LUMO energy (Hartree): 0.0891
HOMO-LUMO gap (Hartree): 0.3302
Electronic spatial extent r2 (Bohr^2): 868.478
Zero-point vibrational energy (Hartree): 0.138657
Internal energy at 0 K (Hartree): -458.937681
Internal energy at 298.15 K (Hartree): -458.931388
Enthalpy at 298.15 K (Hartree): -458.930444
Free energy at 298.15 K (Hartree): -458.968053
Heat capacity at 298.15 K (cal/mol K): 26.132
Atomization energy at 0 K (kcal/mol): -1669.8817701521
Atomization energy at 298.15 K (kcal/mol): -1681.042017717
Atomization enthalpy at 298.15 K (kcal/mol): -1690.524933725
Atomization free energy at 298.15 K (kcal/mol): -1552.544489751