Molecule SMILES: CC(C)(C)C(F)(F)F
Rotational constants A, B, C (GHz): 2.51472, 1.78829, 1.7882
Dipole moment mu (Debye): 2.0279
Isotropic polarizability alpha (Bohr^3): 56.64
HOMO energy (Hartree): -0.337
LUMO energy (Hartree): 0.0811
HOMO-LUMO gap (Hartree): 0.418
Electronic spatial extent r2 (Bohr^2): 875.4424
Zero-point vibrational energy (Hartree): 0.13639
Internal energy at 0 K (Hartree): -495.395501
Internal energy at 298.15 K (Hartree): -495.386615
Enthalpy at 298.15 K (Hartree): -495.385671
Free energy at 298.15 K (Hartree): -495.42844
Heat capacity at 298.15 K (cal/mol K): 32.893
Atomization energy at 0 K (kcal/mol): -1570.6512619461
Atomization energy at 298.15 K (kcal/mol): -1580.1837511651
Atomization enthalpy at 298.15 K (kcal/mol): -1589.6672946821
Atomization free energy at 298.15 K (kcal/mol): -1457.6281059201