Molecule SMILES: CN(C)C(=N)C(F)(F)F
Rotational constants A, B, C (GHz): 2.54766, 1.33781, 1.05528
Dipole moment mu (Debye): 2.0714
Isotropic polarizability alpha (Bohr^3): 60.76
HOMO energy (Hartree): -0.2311
LUMO energy (Hartree): 0.0037
HOMO-LUMO gap (Hartree): 0.2347
Electronic spatial extent r2 (Bohr^2): 1137.8637
Zero-point vibrational energy (Hartree): 0.120012
Internal energy at 0 K (Hartree): -565.569258
Internal energy at 298.15 K (Hartree): -565.5598
Enthalpy at 298.15 K (Hartree): -565.558856
Free energy at 298.15 K (Hartree): -565.604017
Heat capacity at 298.15 K (cal/mol K): 33.132
Atomization energy at 0 K (kcal/mol): -1478.628949623
Atomization energy at 298.15 K (kcal/mol): -1486.913323441
Atomization enthalpy at 298.15 K (kcal/mol): -1495.803243444
Atomization free energy at 298.15 K (kcal/mol): -1370.375489506