Molecule SMILES: CCOCC1OCC1C
Rotational constants A, B, C (GHz): 3.45525, 0.80694, 0.70636
Dipole moment mu (Debye): 1.4568
Isotropic polarizability alpha (Bohr^3): 82.81
HOMO energy (Hartree): -0.2432
LUMO energy (Hartree): 0.0722
HOMO-LUMO gap (Hartree): 0.3154
Electronic spatial extent r2 (Bohr^2): 1691.7766
Zero-point vibrational energy (Hartree): 0.20402
Internal energy at 0 K (Hartree): -425.403415
Internal energy at 298.15 K (Hartree): -425.392883
Enthalpy at 298.15 K (Hartree): -425.391939
Free energy at 298.15 K (Hartree): -425.440601
Heat capacity at 298.15 K (cal/mol K): 37.042
Atomization energy at 0 K (kcal/mol): -2097.7820397791
Atomization energy at 298.15 K (kcal/mol): -2111.614220666
Atomization enthalpy at 298.15 K (kcal/mol): -2124.655112704
Atomization free energy at 298.15 K (kcal/mol): -1944.8637440601