Molecule SMILES: CCOCC1OC1C
Rotational constants A, B, C (GHz): 6.16885, 0.81605, 0.76831
Dipole moment mu (Debye): 2.4266
Isotropic polarizability alpha (Bohr^3): 73.42
HOMO energy (Hartree): -0.2526
LUMO energy (Hartree): 0.0865
HOMO-LUMO gap (Hartree): 0.3391
Electronic spatial extent r2 (Bohr^2): 1544.5653
Zero-point vibrational energy (Hartree): 0.174344
Internal energy at 0 K (Hartree): -386.115427
Internal energy at 298.15 K (Hartree): -386.105795
Enthalpy at 298.15 K (Hartree): -386.104851
Free energy at 298.15 K (Hartree): -386.150751
Heat capacity at 298.15 K (cal/mol K): 33.397
Atomization energy at 0 K (kcal/mol): -1821.2576487491
Atomization energy at 298.15 K (kcal/mol): -1832.988301995
Atomization enthalpy at 298.15 K (kcal/mol): -1844.250833527
Atomization free energy at 298.15 K (kcal/mol): -1689.669011449