Molecule SMILES: C1C2OC2C2OC12
Rotational constants A, B, C (GHz): 4.92884, 3.38789, 2.6361
Dipole moment mu (Debye): 3.2259
Isotropic polarizability alpha (Bohr^3): 51.8
HOMO energy (Hartree): -0.2621
LUMO energy (Hartree): 0.0581
HOMO-LUMO gap (Hartree): 0.3201
Electronic spatial extent r2 (Bohr^2): 542.4604
Zero-point vibrational energy (Hartree): 0.102953
Internal energy at 0 K (Hartree): -344.412416
Internal energy at 298.15 K (Hartree): -344.407377
Enthalpy at 298.15 K (Hartree): -344.406433
Free energy at 298.15 K (Hartree): -344.440964
Heat capacity at 298.15 K (cal/mol K): 20.005
Atomization energy at 0 K (kcal/mol): -1284.9878298401
Atomization energy at 298.15 K (kcal/mol): -1293.380135206
Atomization enthalpy at 298.15 K (kcal/mol): -1300.492322212
Atomization free energy at 298.15 K (kcal/mol): -1198.387195277