Molecule SMILES: FC(F)(F)C1CC2OC12
Rotational constants A, B, C (GHz): 3.18312, 1.30081, 1.19958
Dipole moment mu (Debye): 3.2328
Isotropic polarizability alpha (Bohr^3): 53.68
HOMO energy (Hartree): -0.2685
LUMO energy (Hartree): 0.0721
HOMO-LUMO gap (Hartree): 0.3406
Electronic spatial extent r2 (Bohr^2): 1010.5703
Zero-point vibrational energy (Hartree): 0.097218
Internal energy at 0 K (Hartree): -568.152556
Internal energy at 298.15 K (Hartree): -568.145132
Enthalpy at 298.15 K (Hartree): -568.144188
Free energy at 298.15 K (Hartree): -568.185267
Heat capacity at 298.15 K (cal/mol K): 27.55
Atomization energy at 0 K (kcal/mol): -1378.362424058
Atomization energy at 298.15 K (kcal/mol): -1386.1466732031
Atomization enthalpy at 298.15 K (kcal/mol): -1393.850601196
Atomization free energy at 298.15 K (kcal/mol): -1282.554977447