Molecule SMILES: CCN(C)CC(F)(F)F
Rotational constants A, B, C (GHz): 2.63933, 0.98277, 0.86268
Dipole moment mu (Debye): 2.3564
Isotropic polarizability alpha (Bohr^3): 65.71
HOMO energy (Hartree): -0.2241
LUMO energy (Hartree): 0.0787
HOMO-LUMO gap (Hartree): 0.3028
Electronic spatial extent r2 (Bohr^2): 1395.1467
Zero-point vibrational energy (Hartree): 0.154149
Internal energy at 0 K (Hartree): -550.706973
Internal energy at 298.15 K (Hartree): -550.696942
Enthalpy at 298.15 K (Hartree): -550.695997
Free energy at 298.15 K (Hartree): -550.743066
Heat capacity at 298.15 K (cal/mol K): 35.51
Atomization energy at 0 K (kcal/mol): -1713.307902988
Atomization energy at 298.15 K (kcal/mol): -1723.89899989
Atomization enthalpy at 298.15 K (kcal/mol): -1734.5672803991
Atomization free energy at 298.15 K (kcal/mol): -1586.1432041381