Molecule SMILES: C1OC2C3C4OC3C24O1
Rotational constants A, B, C (GHz): 4.06937, 1.67046, 1.44045
Dipole moment mu (Debye): 1.7934
Isotropic polarizability alpha (Bohr^3): 63.9
HOMO energy (Hartree): -0.2409
LUMO energy (Hartree): 0.0578
HOMO-LUMO gap (Hartree): 0.2987
Electronic spatial extent r2 (Bohr^2): 878.9127
Zero-point vibrational energy (Hartree): 0.112884
Internal energy at 0 K (Hartree): -457.620988
Internal energy at 298.15 K (Hartree): -457.614788
Enthalpy at 298.15 K (Hartree): -457.613844
Free energy at 298.15 K (Hartree): -457.651584
Heat capacity at 298.15 K (cal/mol K): 24.936
Atomization energy at 0 K (kcal/mol): -1471.4966823291
Atomization energy at 298.15 K (kcal/mol): -1480.938182743
Atomization enthalpy at 298.15 K (kcal/mol): -1489.235106741
Atomization free energy at 298.15 K (kcal/mol): -1367.670925716