Molecule SMILES: C1OC1C1C2OCOC12
Rotational constants A, B, C (GHz): 3.2477, 1.36423, 1.25736
Dipole moment mu (Debye): 1.1911
Isotropic polarizability alpha (Bohr^3): 66.48
HOMO energy (Hartree): -0.2364
LUMO energy (Hartree): 0.0755
HOMO-LUMO gap (Hartree): 0.3119
Electronic spatial extent r2 (Bohr^2): 1033.4819
Zero-point vibrational energy (Hartree): 0.13608
Internal energy at 0 K (Hartree): -458.898696
Internal energy at 298.15 K (Hartree): -458.890964
Enthalpy at 298.15 K (Hartree): -458.89002
Free energy at 298.15 K (Hartree): -458.932062
Heat capacity at 298.15 K (cal/mol K): 28.211
Atomization energy at 0 K (kcal/mol): -1645.418331787
Atomization energy at 298.15 K (kcal/mol): -1655.675593901
Atomization enthalpy at 298.15 K (kcal/mol): -1665.158509909
Atomization free energy at 298.15 K (kcal/mol): -1529.959813332