Molecule SMILES: C1OCC2OCCOC12
Rotational constants A, B, C (GHz): 3.21721, 1.48535, 1.08329
Dipole moment mu (Debye): 1.7808
Isotropic polarizability alpha (Bohr^3): 71.09
HOMO energy (Hartree): -0.2411
LUMO energy (Hartree): 0.0741
HOMO-LUMO gap (Hartree): 0.3152
Electronic spatial extent r2 (Bohr^2): 1100.6354
Zero-point vibrational energy (Hartree): 0.162325
Internal energy at 0 K (Hartree): -460.147889
Internal energy at 298.15 K (Hartree): -460.140594
Enthalpy at 298.15 K (Hartree): -460.13965
Free energy at 298.15 K (Hartree): -460.179689
Heat capacity at 298.15 K (cal/mol K): 28.687
Atomization energy at 0 K (kcal/mol): -1801.4465621101
Atomization energy at 298.15 K (kcal/mol): -1813.755151145
Atomization enthalpy at 298.15 K (kcal/mol): -1824.424059163
Atomization free energy at 298.15 K (kcal/mol): -1671.634402789