Molecule SMILES: O1C2C3OC4C1C4OC23
Rotational constants A, B, C (GHz): 2.53267, 2.25157, 2.25135
Dipole moment mu (Debye): 0.0005
Isotropic polarizability alpha (Bohr^3): 61.13
HOMO energy (Hartree): -0.2038
LUMO energy (Hartree): 0.0308
HOMO-LUMO gap (Hartree): 0.2346
Electronic spatial extent r2 (Bohr^2): 758.4804
Zero-point vibrational energy (Hartree): 0.115147
Internal energy at 0 K (Hartree): -457.685082
Internal energy at 298.15 K (Hartree): -457.679336
Enthalpy at 298.15 K (Hartree): -457.678392
Free energy at 298.15 K (Hartree): -457.71494
Heat capacity at 298.15 K (cal/mol K): 24.167
Atomization energy at 0 K (kcal/mol): -1511.7162441751
Atomization energy at 298.15 K (kcal/mol): -1521.442633675
Atomization enthalpy at 298.15 K (kcal/mol): -1529.739557673
Atomization free energy at 298.15 K (kcal/mol): -1407.42738592