Molecule SMILES: FC(F)(F)CC1CCO1
Rotational constants A, B, C (GHz): 3.6445, 0.92874, 0.87893
Dipole moment mu (Debye): 3.4567
Isotropic polarizability alpha (Bohr^3): 57.92
HOMO energy (Hartree): -0.2559
LUMO energy (Hartree): 0.0744
HOMO-LUMO gap (Hartree): 0.3302
Electronic spatial extent r2 (Bohr^2): 1307.9112
Zero-point vibrational energy (Hartree): 0.120482
Internal energy at 0 K (Hartree): -569.379214
Internal energy at 298.15 K (Hartree): -569.370742
Enthalpy at 298.15 K (Hartree): -569.369798
Free energy at 298.15 K (Hartree): -569.413927
Heat capacity at 298.15 K (cal/mol K): 29.97
Atomization energy at 0 K (kcal/mol): -1520.2497390661
Atomization energy at 298.15 K (kcal/mol): -1529.153464267
Atomization enthalpy at 298.15 K (kcal/mol): -1538.04338427
Atomization free energy at 298.15 K (kcal/mol): -1412.327603701