Molecule SMILES: CCOCC(F)(F)F
Rotational constants A, B, C (GHz): 4.58853, 0.9657, 0.94425
Dipole moment mu (Debye): 2.8113
Isotropic polarizability alpha (Bohr^3): 51.84
HOMO energy (Hartree): -0.2742
LUMO energy (Hartree): 0.0743
HOMO-LUMO gap (Hartree): 0.3485
Electronic spatial extent r2 (Bohr^2): 1239.3326
Zero-point vibrational energy (Hartree): 0.113487
Internal energy at 0 K (Hartree): -531.303127
Internal energy at 298.15 K (Hartree): -531.294457
Enthalpy at 298.15 K (Hartree): -531.293513
Free energy at 298.15 K (Hartree): -531.337752
Heat capacity at 298.15 K (cal/mol K): 29.387
Atomization energy at 0 K (kcal/mol): -1376.3525127311
Atomization energy at 298.15 K (kcal/mol): -1384.242810897
Atomization enthalpy at 298.15 K (kcal/mol): -1392.540362404
Atomization free energy at 298.15 K (kcal/mol): -1277.5022749791