Molecule SMILES: FC(F)(F)C1CCO1
Rotational constants A, B, C (GHz): 3.71367, 1.64669, 1.5031
Dipole moment mu (Debye): 2.6748
Isotropic polarizability alpha (Bohr^3): 46.49
HOMO energy (Hartree): -0.2692
LUMO energy (Hartree): 0.0618
HOMO-LUMO gap (Hartree): 0.3309
Electronic spatial extent r2 (Bohr^2): 834.045
Zero-point vibrational energy (Hartree): 0.092242
Internal energy at 0 K (Hartree): -530.087513
Internal energy at 298.15 K (Hartree): -530.080383
Enthalpy at 298.15 K (Hartree): -530.079439
Free energy at 298.15 K (Hartree): -530.11977
Heat capacity at 298.15 K (cal/mol K): 25.087
Atomization energy at 0 K (kcal/mol): -1241.395407119
Atomization energy at 298.15 K (kcal/mol): -1248.474963657
Atomization enthalpy at 298.15 K (kcal/mol): -1255.586523154
Atomization free energy at 298.15 K (kcal/mol): -1154.430189827