Molecule SMILES: C1OC2C3OC4C3C1C24
Rotational constants A, B, C (GHz): 3.68515, 1.93108, 1.68585
Dipole moment mu (Debye): 2.169
Isotropic polarizability alpha (Bohr^3): 68.83
HOMO energy (Hartree): -0.2311
LUMO energy (Hartree): 0.0782
HOMO-LUMO gap (Hartree): 0.3093
Electronic spatial extent r2 (Bohr^2): 826.8742
Zero-point vibrational energy (Hartree): 0.139947
Internal energy at 0 K (Hartree): -421.783719
Internal energy at 298.15 K (Hartree): -421.77815
Enthalpy at 298.15 K (Hartree): -421.777206
Free energy at 298.15 K (Hartree): -421.813433
Heat capacity at 298.15 K (cal/mol K): 24.165
Atomization energy at 0 K (kcal/mol): -1709.9450822571
Atomization energy at 298.15 K (kcal/mol): -1721.560273847
Atomization enthalpy at 298.15 K (kcal/mol): -1731.043189855
Atomization free energy at 298.15 K (kcal/mol): -1592.450924606