Molecule SMILES: FC(F)(F)C1CCCO1
Rotational constants A, B, C (GHz): 2.93266, 1.3033, 1.16908
Dipole moment mu (Debye): 2.7935
Isotropic polarizability alpha (Bohr^3): 57.02
HOMO energy (Hartree): -0.2648
LUMO energy (Hartree): 0.0785
HOMO-LUMO gap (Hartree): 0.3433
Electronic spatial extent r2 (Bohr^2): 1065.054
Zero-point vibrational energy (Hartree): 0.121915
Internal energy at 0 K (Hartree): -569.405896
Internal energy at 298.15 K (Hartree): -569.397886
Enthalpy at 298.15 K (Hartree): -569.396941
Free energy at 298.15 K (Hartree): -569.439434
Heat capacity at 298.15 K (cal/mol K): 29.186
Atomization energy at 0 K (kcal/mol): -1536.992934204
Atomization energy at 298.15 K (kcal/mol): -1546.186568563
Atomization enthalpy at 298.15 K (kcal/mol): -1555.075861057
Atomization free energy at 298.15 K (kcal/mol): -1428.3334757641