Molecule SMILES: C1OC2OC3C4OC13C24
Rotational constants A, B, C (GHz): 3.23856, 2.20068, 1.75339
Dipole moment mu (Debye): 0.7782
Isotropic polarizability alpha (Bohr^3): 62.55
HOMO energy (Hartree): -0.2459
LUMO energy (Hartree): 0.0469
HOMO-LUMO gap (Hartree): 0.2928
Electronic spatial extent r2 (Bohr^2): 779.0191
Zero-point vibrational energy (Hartree): 0.114595
Internal energy at 0 K (Hartree): -457.661005
Internal energy at 298.15 K (Hartree): -457.655439
Enthalpy at 298.15 K (Hartree): -457.654495
Free energy at 298.15 K (Hartree): -457.690662
Heat capacity at 298.15 K (cal/mol K): 23.863
Atomization energy at 0 K (kcal/mol): -1496.6077099821
Atomization energy at 298.15 K (kcal/mol): -1506.447051102
Atomization enthalpy at 298.15 K (kcal/mol): -1514.7439751
Atomization free energy at 298.15 K (kcal/mol): -1392.192722418