Molecule SMILES: CCCC(F)(F)F
Rotational constants A, B, C (GHz): 4.90629, 1.44595, 1.42647
Dipole moment mu (Debye): 2.1377
Isotropic polarizability alpha (Bohr^3): 46.73
HOMO energy (Hartree): -0.3446
LUMO energy (Hartree): 0.086
HOMO-LUMO gap (Hartree): 0.4306
Electronic spatial extent r2 (Bohr^2): 885.3722
Zero-point vibrational energy (Hartree): 0.109275
Internal energy at 0 K (Hartree): -456.103432
Internal energy at 298.15 K (Hartree): -456.095918
Enthalpy at 298.15 K (Hartree): -456.094973
Free energy at 298.15 K (Hartree): -456.135756
Heat capacity at 298.15 K (cal/mol K): 26.166
Atomization energy at 0 K (kcal/mol): -1291.5660066871
Atomization energy at 298.15 K (kcal/mol): -1299.293152513
Atomization enthalpy at 298.15 K (kcal/mol): -1306.9977080151
Atomization free energy at 298.15 K (kcal/mol): -1200.6550128031