Molecule SMILES: FC(F)(F)C1OC1C=O
Rotational constants A, B, C (GHz): 2.92482, 1.15363, 1.01237
Dipole moment mu (Debye): 1.7436
Isotropic polarizability alpha (Bohr^3): 48.92
HOMO energy (Hartree): -0.2753
LUMO energy (Hartree): -0.056
HOMO-LUMO gap (Hartree): 0.2193
Electronic spatial extent r2 (Bohr^2): 1109.5877
Zero-point vibrational energy (Hartree): 0.07175
Internal energy at 0 K (Hartree): -604.105392
Internal energy at 298.15 K (Hartree): -604.097287
Enthalpy at 298.15 K (Hartree): -604.096343
Free energy at 298.15 K (Hartree): -604.139682
Heat capacity at 298.15 K (cal/mol K): 27.946
Atomization energy at 0 K (kcal/mol): -1212.4333567331
Atomization energy at 298.15 K (kcal/mol): -1218.0125392521
Atomization enthalpy at 298.15 K (kcal/mol): -1224.5304752351
Atomization free energy at 298.15 K (kcal/mol): -1130.731684933