Molecule SMILES: O1C2C3OC4OC3C2C14
Rotational constants A, B, C (GHz): 3.1353, 2.27624, 2.20374
Dipole moment mu (Debye): 2.1549
Isotropic polarizability alpha (Bohr^3): 60.75
HOMO energy (Hartree): -0.2369
LUMO energy (Hartree): 0.0505
HOMO-LUMO gap (Hartree): 0.2874
Electronic spatial extent r2 (Bohr^2): 721.9446
Zero-point vibrational energy (Hartree): 0.116482
Internal energy at 0 K (Hartree): -457.717094
Internal energy at 298.15 K (Hartree): -457.712173
Enthalpy at 298.15 K (Hartree): -457.711229
Free energy at 298.15 K (Hartree): -457.746189
Heat capacity at 298.15 K (cal/mol K): 21.961
Atomization energy at 0 K (kcal/mol): -1531.804062283
Atomization energy at 298.15 K (kcal/mol): -1542.048146708
Atomization enthalpy at 298.15 K (kcal/mol): -1550.345070706
Atomization free energy at 298.15 K (kcal/mol): -1427.036414661