Molecule SMILES: CC(N1CC1)C(F)(F)F
Rotational constants A, B, C (GHz): 2.59256, 1.29304, 1.05842
Dipole moment mu (Debye): 2.5359
Isotropic polarizability alpha (Bohr^3): 61.72
HOMO energy (Hartree): -0.2487
LUMO energy (Hartree): 0.0779
HOMO-LUMO gap (Hartree): 0.3265
Electronic spatial extent r2 (Bohr^2): 1148.495
Zero-point vibrational energy (Hartree): 0.131402
Internal energy at 0 K (Hartree): -549.490592
Internal energy at 298.15 K (Hartree): -549.481729
Enthalpy at 298.15 K (Hartree): -549.480785
Free energy at 298.15 K (Hartree): -549.524578
Heat capacity at 298.15 K (cal/mol K): 32.463
Atomization energy at 0 K (kcal/mol): -1577.869497973
Atomization energy at 298.15 K (kcal/mol): -1587.416419899
Atomization enthalpy at 298.15 K (kcal/mol): -1596.8993359071
Atomization free energy at 298.15 K (kcal/mol): -1462.7535994321