Molecule SMILES: FC(F)(F)C12CC1OC2
Rotational constants A, B, C (GHz): 2.99836, 1.3216, 1.19859
Dipole moment mu (Debye): 0.9748
Isotropic polarizability alpha (Bohr^3): 53.94
HOMO energy (Hartree): -0.2564
LUMO energy (Hartree): 0.0578
HOMO-LUMO gap (Hartree): 0.3141
Electronic spatial extent r2 (Bohr^2): 1012.8121
Zero-point vibrational energy (Hartree): 0.097212
Internal energy at 0 K (Hartree): -568.146504
Internal energy at 298.15 K (Hartree): -568.138997
Enthalpy at 298.15 K (Hartree): -568.138052
Free energy at 298.15 K (Hartree): -568.179244
Heat capacity at 298.15 K (cal/mol K): 27.855
Atomization energy at 0 K (kcal/mol): -1374.5647395901
Atomization energy at 298.15 K (kcal/mol): -1382.2969054881
Atomization enthalpy at 298.15 K (kcal/mol): -1390.000205972
Atomization free energy at 298.15 K (kcal/mol): -1278.7754907401