Molecule SMILES: FC(F)(F)C1C2CCC12
Rotational constants A, B, C (GHz): 3.02982, 1.26236, 1.26073
Dipole moment mu (Debye): 2.3635
Isotropic polarizability alpha (Bohr^3): 60.95
HOMO energy (Hartree): -0.2725
LUMO energy (Hartree): 0.079
HOMO-LUMO gap (Hartree): 0.3515
Electronic spatial extent r2 (Bohr^2): 1044.2491
Zero-point vibrational energy (Hartree): 0.121892
Internal energy at 0 K (Hartree): -532.229037
Internal energy at 298.15 K (Hartree): -532.221451
Enthalpy at 298.15 K (Hartree): -532.220506
Free energy at 298.15 K (Hartree): -532.262126
Heat capacity at 298.15 K (cal/mol K): 28.871
Atomization energy at 0 K (kcal/mol): -1562.688172736
Atomization energy at 298.15 K (kcal/mol): -1572.1484984201
Atomization enthalpy at 298.15 K (kcal/mol): -1581.037790914
Atomization free energy at 298.15 K (kcal/mol): -1454.002986427