Molecule SMILES: CCOC1C2OC1C2O
Rotational constants A, B, C (GHz): 3.91823, 0.91237, 0.82866
Dipole moment mu (Debye): 2.652
Isotropic polarizability alpha (Bohr^3): 73.16
HOMO energy (Hartree): -0.2359
LUMO energy (Hartree): 0.059
HOMO-LUMO gap (Hartree): 0.2949
Electronic spatial extent r2 (Bohr^2): 1444.3245
Zero-point vibrational energy (Hartree): 0.156964
Internal energy at 0 K (Hartree): -460.072319
Internal energy at 298.15 K (Hartree): -460.06327
Enthalpy at 298.15 K (Hartree): -460.062326
Free energy at 298.15 K (Hartree): -460.10682
Heat capacity at 298.15 K (cal/mol K): 33.241
Atomization energy at 0 K (kcal/mol): -1754.0257069801
Atomization energy at 298.15 K (kcal/mol): -1765.233645229
Atomization enthalpy at 298.15 K (kcal/mol): -1775.902553247
Atomization free energy at 298.15 K (kcal/mol): -1625.908449468