Molecule SMILES: C(C(F)(F)F)(F)(F)F
Rotational constants A, B, C (GHz): 2.83161, 1.84543, 1.84532
Dipole moment mu (Debye): 0
Isotropic polarizability alpha (Bohr^3): 27.49
HOMO energy (Hartree): -0.3848
LUMO energy (Hartree): 0.0954
HOMO-LUMO gap (Hartree): 0.4802
Electronic spatial extent r2 (Bohr^2): 705.3348
Zero-point vibrational energy (Hartree): 0.029437
Internal energy at 0 K (Hartree): -675.265273
Internal energy at 298.15 K (Hartree): -675.258505
Enthalpy at 298.15 K (Hartree): -675.257561
Free energy at 298.15 K (Hartree): -675.297105
Heat capacity at 298.15 K (cal/mol K): 23.119
Atomization energy at 0 K (kcal/mol): -790.252831641
Atomization energy at 298.15 K (kcal/mol): -793.115527699
Atomization enthalpy at 298.15 K (kcal/mol): -797.262107171
Atomization free energy at 298.15 K (kcal/mol): -736.197951363