Molecule SMILES: C1C2OC3C4OC1C2C34
Rotational constants A, B, C (GHz): 2.76266, 2.4302, 1.85159
Dipole moment mu (Debye): 1.9171
Isotropic polarizability alpha (Bohr^3): 69.21
HOMO energy (Hartree): -0.2216
LUMO energy (Hartree): 0.0757
HOMO-LUMO gap (Hartree): 0.2974
Electronic spatial extent r2 (Bohr^2): 799.1168
Zero-point vibrational energy (Hartree): 0.139352
Internal energy at 0 K (Hartree): -421.799686
Internal energy at 298.15 K (Hartree): -421.793966
Enthalpy at 298.15 K (Hartree): -421.793022
Free energy at 298.15 K (Hartree): -421.829516
Heat capacity at 298.15 K (cal/mol K): 24.794
Atomization energy at 0 K (kcal/mol): -1719.9645184601
Atomization energy at 298.15 K (kcal/mol): -1731.4849561911
Atomization enthalpy at 298.15 K (kcal/mol): -1740.967872199
Atomization free energy at 298.15 K (kcal/mol): -1602.5431518531