Molecule SMILES: C1OC2C3C4OC13C24
Rotational constants A, B, C (GHz): 4.70059, 2.58463, 2.12795
Dipole moment mu (Debye): 1.0519
Isotropic polarizability alpha (Bohr^3): 59.76
HOMO energy (Hartree): -0.2373
LUMO energy (Hartree): 0.0592
HOMO-LUMO gap (Hartree): 0.2964
Electronic spatial extent r2 (Bohr^2): 645.2599
Zero-point vibrational energy (Hartree): 0.108401
Internal energy at 0 K (Hartree): -382.406252
Internal energy at 298.15 K (Hartree): -382.40113
Enthalpy at 298.15 K (Hartree): -382.400186
Free energy at 298.15 K (Hartree): -382.435117
Heat capacity at 298.15 K (cal/mol K): 21.702
Atomization energy at 0 K (kcal/mol): -1377.2718134161
Atomization energy at 298.15 K (kcal/mol): -1386.501215788
Atomization enthalpy at 298.15 K (kcal/mol): -1394.20577129
Atomization free energy at 298.15 K (kcal/mol): -1281.7429808011