Molecule SMILES: C(F)(F)(F)F
Rotational constants A, B, C (GHz): 5.71326, 5.71279, 5.71267
Dipole moment mu (Debye): 0.0003
Isotropic polarizability alpha (Bohr^3): 15.93
HOMO energy (Hartree): -0.4286
LUMO energy (Hartree): 0.1935
HOMO-LUMO gap (Hartree): 0.6221
Electronic spatial extent r2 (Bohr^2): 279.3208
Zero-point vibrational energy (Hartree): 0.017147
Internal energy at 0 K (Hartree): -437.484875
Internal energy at 298.15 K (Hartree): -437.480956
Enthalpy at 298.15 K (Hartree): -437.480011
Free energy at 298.15 K (Hartree): -437.512059
Heat capacity at 298.15 K (cal/mol K): 12.639
Atomization energy at 0 K (kcal/mol): -478.904201147
Atomization energy at 298.15 K (kcal/mol): -480.888384605
Atomization enthalpy at 298.15 K (kcal/mol): -483.25723108
Atomization free energy at 298.15 K (kcal/mol): -449.651614094