Molecule SMILES: CC(C)C(N)C(F)(F)F
Rotational constants A, B, C (GHz): 2.40121, 1.1276, 1.07496
Dipole moment mu (Debye): 0.8751
Isotropic polarizability alpha (Bohr^3): 64
HOMO energy (Hartree): -0.2567
LUMO energy (Hartree): 0.0707
HOMO-LUMO gap (Hartree): 0.3275
Electronic spatial extent r2 (Bohr^2): 1234.9151
Zero-point vibrational energy (Hartree): 0.154918
Internal energy at 0 K (Hartree): -550.72478
Internal energy at 298.15 K (Hartree): -550.714809
Enthalpy at 298.15 K (Hartree): -550.713865
Free energy at 298.15 K (Hartree): -550.759763
Heat capacity at 298.15 K (cal/mol K): 36.622
Atomization energy at 0 K (kcal/mol): -1724.4819557511
Atomization energy at 298.15 K (kcal/mol): -1735.110703193
Atomization enthalpy at 298.15 K (kcal/mol): -1745.7796112111
Atomization free energy at 298.15 K (kcal/mol): -1596.6207219111