Molecule SMILES: CC(N(C)C)C(F)(F)F
Rotational constants A, B, C (GHz): 2.37834, 1.17202, 1.11625
Dipole moment mu (Debye): 2.3901
Isotropic polarizability alpha (Bohr^3): 64.58
HOMO energy (Hartree): -0.2182
LUMO energy (Hartree): 0.0713
HOMO-LUMO gap (Hartree): 0.2896
Electronic spatial extent r2 (Bohr^2): 1209.2604
Zero-point vibrational energy (Hartree): 0.153774
Internal energy at 0 K (Hartree): -550.706847
Internal energy at 298.15 K (Hartree): -550.696793
Enthalpy at 298.15 K (Hartree): -550.695849
Free energy at 298.15 K (Hartree): -550.742013
Heat capacity at 298.15 K (cal/mol K): 36.264
Atomization energy at 0 K (kcal/mol): -1713.2288368541
Atomization energy at 298.15 K (kcal/mol): -1723.805501049
Atomization enthalpy at 298.15 K (kcal/mol): -1734.474409067
Atomization free energy at 298.15 K (kcal/mol): -1585.4824371611