Molecule SMILES: CCCOCC1COC1
Rotational constants A, B, C (GHz): 5.92708, 0.54828, 0.5288
Dipole moment mu (Debye): 2.1324
Isotropic polarizability alpha (Bohr^3): 83.58
HOMO energy (Hartree): -0.2431
LUMO energy (Hartree): 0.0846
HOMO-LUMO gap (Hartree): 0.3277
Electronic spatial extent r2 (Bohr^2): 2160.6637
Zero-point vibrational energy (Hartree): 0.204417
Internal energy at 0 K (Hartree): -425.39795
Internal energy at 298.15 K (Hartree): -425.387438
Enthalpy at 298.15 K (Hartree): -425.386494
Free energy at 298.15 K (Hartree): -425.435519
Heat capacity at 298.15 K (cal/mol K): 36.224
Atomization energy at 0 K (kcal/mol): -2094.3527030941
Atomization energy at 298.15 K (kcal/mol): -2108.197434161
Atomization enthalpy at 298.15 K (kcal/mol): -2121.2383261991
Atomization free energy at 298.15 K (kcal/mol): -1941.674743322