Molecule SMILES: O=C1OC2C3C4OC13C24
Rotational constants A, B, C (GHz): 3.53553, 1.96116, 1.4939
Dipole moment mu (Debye): 4.7522
Isotropic polarizability alpha (Bohr^3): 60.89
HOMO energy (Hartree): -0.2682
LUMO energy (Hartree): -0.0097
HOMO-LUMO gap (Hartree): 0.2585
Electronic spatial extent r2 (Bohr^2): 818.4152
Zero-point vibrational energy (Hartree): 0.089832
Internal energy at 0 K (Hartree): -456.460476
Internal energy at 298.15 K (Hartree): -456.454826
Enthalpy at 298.15 K (Hartree): -456.453882
Free energy at 298.15 K (Hartree): -456.490405
Heat capacity at 298.15 K (cal/mol K): 23.268
Atomization energy at 0 K (kcal/mol): -1371.1165776351
Atomization energy at 298.15 K (kcal/mol): -1379.1261025111
Atomization enthalpy at 298.15 K (kcal/mol): -1386.237034499
Atomization free energy at 298.15 K (kcal/mol): -1280.2432342911