Molecule SMILES: CCCOCCOC
Rotational constants A, B, C (GHz): 12.64265, 0.54795, 0.53575
Dipole moment mu (Debye): 0.2111
Isotropic polarizability alpha (Bohr^3): 77.41
HOMO energy (Hartree): -0.2495
LUMO energy (Hartree): 0.0868
HOMO-LUMO gap (Hartree): 0.3363
Electronic spatial extent r2 (Bohr^2): 2128.0888
Zero-point vibrational energy (Hartree): 0.197579
Internal energy at 0 K (Hartree): -387.32419
Internal energy at 298.15 K (Hartree): -387.313471
Enthalpy at 298.15 K (Hartree): -387.312527
Free energy at 298.15 K (Hartree): -387.361213
Heat capacity at 298.15 K (cal/mol K): 35.753
Atomization energy at 0 K (kcal/mol): -1951.915690202
Atomization energy at 298.15 K (kcal/mol): -1964.741346653
Atomization enthalpy at 298.15 K (kcal/mol): -1977.189870195
Atomization free energy at 298.15 K (kcal/mol): -1808.022228921