Molecule SMILES: FC(F)(F)C1CCOC1
Rotational constants A, B, C (GHz): 3.02768, 1.22054, 1.09228
Dipole moment mu (Debye): 1.3386
Isotropic polarizability alpha (Bohr^3): 56.76
HOMO energy (Hartree): -0.2616
LUMO energy (Hartree): 0.0725
HOMO-LUMO gap (Hartree): 0.3341
Electronic spatial extent r2 (Bohr^2): 1097.6875
Zero-point vibrational energy (Hartree): 0.122225
Internal energy at 0 K (Hartree): -569.404112
Internal energy at 298.15 K (Hartree): -569.396135
Enthalpy at 298.15 K (Hartree): -569.395191
Free energy at 298.15 K (Hartree): -569.437796
Heat capacity at 298.15 K (cal/mol K): 29.028
Atomization energy at 0 K (kcal/mol): -1535.8734581481
Atomization energy at 298.15 K (kcal/mol): -1545.087800304
Atomization enthalpy at 298.15 K (kcal/mol): -1553.977720307
Atomization free energy at 298.15 K (kcal/mol): -1427.3056160221