Molecule SMILES: CC(N)C(F)(F)F
Rotational constants A, B, C (GHz): 3.44309, 2.4113, 1.95968
Dipole moment mu (Debye): 2.8282
Isotropic polarizability alpha (Bohr^3): 42.91
HOMO energy (Hartree): -0.2541
LUMO energy (Hartree): 0.0696
HOMO-LUMO gap (Hartree): 0.3237
Electronic spatial extent r2 (Bohr^2): 684.917
Zero-point vibrational energy (Hartree): 0.097977
Internal energy at 0 K (Hartree): -472.145935
Internal energy at 298.15 K (Hartree): -472.13853
Enthalpy at 298.15 K (Hartree): -472.137586
Free energy at 298.15 K (Hartree): -472.177433
Heat capacity at 298.15 K (cal/mol K): 26.44
Atomization energy at 0 K (kcal/mol): -1169.63285037
Atomization energy at 298.15 K (kcal/mol): -1176.539214424
Atomization enthalpy at 298.15 K (kcal/mol): -1183.6514014301
Atomization free energy at 298.15 K (kcal/mol): -1084.580908019