Molecule SMILES: FC(F)(F)C1C2COC12
Rotational constants A, B, C (GHz): 3.16163, 1.27514, 1.26851
Dipole moment mu (Debye): 2.9685
Isotropic polarizability alpha (Bohr^3): 53.96
HOMO energy (Hartree): -0.2532
LUMO energy (Hartree): 0.065
HOMO-LUMO gap (Hartree): 0.3182
Electronic spatial extent r2 (Bohr^2): 1000.7507
Zero-point vibrational energy (Hartree): 0.097635
Internal energy at 0 K (Hartree): -568.140969
Internal energy at 298.15 K (Hartree): -568.133631
Enthalpy at 298.15 K (Hartree): -568.132687
Free energy at 298.15 K (Hartree): -568.173808
Heat capacity at 298.15 K (cal/mol K): 27.295
Atomization energy at 0 K (kcal/mol): -1371.0914772751
Atomization energy at 298.15 K (kcal/mol): -1378.9296921941
Atomization enthalpy at 298.15 K (kcal/mol): -1386.6336201871
Atomization free energy at 298.15 K (kcal/mol): -1275.3643518161