Molecule SMILES: C1C2OC3C4OC1C4C23
Rotational constants A, B, C (GHz): 2.75268, 2.39599, 1.9887
Dipole moment mu (Debye): 2.9157
Isotropic polarizability alpha (Bohr^3): 68.98
HOMO energy (Hartree): -0.2369
LUMO energy (Hartree): 0.053
HOMO-LUMO gap (Hartree): 0.29
Electronic spatial extent r2 (Bohr^2): 783.6777
Zero-point vibrational energy (Hartree): 0.1394
Internal energy at 0 K (Hartree): -421.778276
Internal energy at 298.15 K (Hartree): -421.772753
Enthalpy at 298.15 K (Hartree): -421.771809
Free energy at 298.15 K (Hartree): -421.807835
Heat capacity at 298.15 K (cal/mol K): 24.285
Atomization energy at 0 K (kcal/mol): -1706.5295507701
Atomization energy at 298.15 K (kcal/mol): -1718.1736077741
Atomization enthalpy at 298.15 K (kcal/mol): -1727.656523782
Atomization free energy at 298.15 K (kcal/mol): -1588.938129224