Molecule SMILES: C1C2OC3C4OC(C14)C23
Rotational constants A, B, C (GHz): 3.20815, 2.14986, 1.83674
Dipole moment mu (Debye): 1.701
Isotropic polarizability alpha (Bohr^3): 68.43
HOMO energy (Hartree): -0.2318
LUMO energy (Hartree): 0.0714
HOMO-LUMO gap (Hartree): 0.3033
Electronic spatial extent r2 (Bohr^2): 797.4768
Zero-point vibrational energy (Hartree): 0.140275
Internal energy at 0 K (Hartree): -421.790606
Internal energy at 298.15 K (Hartree): -421.785233
Enthalpy at 298.15 K (Hartree): -421.784289
Free energy at 298.15 K (Hartree): -421.820045
Heat capacity at 298.15 K (cal/mol K): 23.935
Atomization energy at 0 K (kcal/mol): -1714.2667367401
Atomization energy at 298.15 K (kcal/mol): -1726.0049200941
Atomization enthalpy at 298.15 K (kcal/mol): -1735.487836102
Atomization free energy at 298.15 K (kcal/mol): -1596.600014114