Molecule SMILES: C1OCC2OCOCC12
Rotational constants A, B, C (GHz): 3.31884, 1.42872, 1.06364
Dipole moment mu (Debye): 1.4073
Isotropic polarizability alpha (Bohr^3): 70.64
HOMO energy (Hartree): -0.2516
LUMO energy (Hartree): 0.0848
HOMO-LUMO gap (Hartree): 0.3364
Electronic spatial extent r2 (Bohr^2): 1109.3949
Zero-point vibrational energy (Hartree): 0.162743
Internal energy at 0 K (Hartree): -460.154828
Internal energy at 298.15 K (Hartree): -460.147588
Enthalpy at 298.15 K (Hartree): -460.146644
Free energy at 298.15 K (Hartree): -460.186591
Heat capacity at 298.15 K (cal/mol K): 28.423
Atomization energy at 0 K (kcal/mol): -1805.8008470611
Atomization energy at 298.15 K (kcal/mol): -1818.143949091
Atomization enthalpy at 298.15 K (kcal/mol): -1828.812857109
Atomization free energy at 298.15 K (kcal/mol): -1675.9654699071