Molecule SMILES: O=C1OC2CC3OCC123
Rotational constants A, B, C (GHz): 3.07778, 1.68291, 1.28839
Dipole moment mu (Debye): 2.8346
Isotropic polarizability alpha (Bohr^3): 64.79
HOMO energy (Hartree): -0.2705
LUMO energy (Hartree): -0.0086
HOMO-LUMO gap (Hartree): 0.262
Electronic spatial extent r2 (Bohr^2): 948.8784
Zero-point vibrational energy (Hartree): 0.113594
Internal energy at 0 K (Hartree): -457.736941
Internal energy at 298.15 K (Hartree): -457.73024
Enthalpy at 298.15 K (Hartree): -457.729296
Free energy at 298.15 K (Hartree): -457.768162
Heat capacity at 298.15 K (cal/mol K): 25.916
Atomization energy at 0 K (kcal/mol): -1544.2582334061
Atomization energy at 298.15 K (kcal/mol): -1553.385351811
Atomization enthalpy at 298.15 K (kcal/mol): -1561.682275809
Atomization free energy at 298.15 K (kcal/mol): -1440.8246699181