Molecule SMILES: C1OC2C3C4OCC12C34
Rotational constants A, B, C (GHz): 3.43615, 1.87238, 1.53116
Dipole moment mu (Debye): 1.4737
Isotropic polarizability alpha (Bohr^3): 69.89
HOMO energy (Hartree): -0.2339
LUMO energy (Hartree): 0.0707
HOMO-LUMO gap (Hartree): 0.3046
Electronic spatial extent r2 (Bohr^2): 873.8548
Zero-point vibrational energy (Hartree): 0.138428
Internal energy at 0 K (Hartree): -421.754789
Internal energy at 298.15 K (Hartree): -421.748638
Enthalpy at 298.15 K (Hartree): -421.747694
Free energy at 298.15 K (Hartree): -421.785017
Heat capacity at 298.15 K (cal/mol K): 25.828
Atomization energy at 0 K (kcal/mol): -1691.7912468871
Atomization energy at 298.15 K (kcal/mol): -1703.0412282391
Atomization enthalpy at 298.15 K (kcal/mol): -1712.5241442471
Atomization free energy at 298.15 K (kcal/mol): -1574.619628862