Molecule SMILES: CC(C)C(C)C(F)(F)F
Rotational constants A, B, C (GHz): 2.29293, 1.25379, 0.98117
Dipole moment mu (Debye): 2.0307
Isotropic polarizability alpha (Bohr^3): 67.76
HOMO energy (Hartree): -0.3256
LUMO energy (Hartree): 0.0807
HOMO-LUMO gap (Hartree): 0.4063
Electronic spatial extent r2 (Bohr^2): 1264.5121
Zero-point vibrational energy (Hartree): 0.165446
Internal energy at 0 K (Hartree): -534.678032
Internal energy at 298.15 K (Hartree): -534.667875
Enthalpy at 298.15 K (Hartree): -534.666931
Free energy at 298.15 K (Hartree): -534.713662
Heat capacity at 298.15 K (cal/mol K): 37.147
Atomization energy at 0 K (kcal/mol): -1843.7513363631
Atomization energy at 298.15 K (kcal/mol): -1855.1525473841
Atomization enthalpy at 298.15 K (kcal/mol): -1866.4144514071
Atomization free energy at 298.15 K (kcal/mol): -1709.9187268791