Molecule SMILES: FC(F)(F)C1OC2CC12
Rotational constants A, B, C (GHz): 3.19785, 1.31203, 1.22072
Dipole moment mu (Debye): 2.8374
Isotropic polarizability alpha (Bohr^3): 53.72
HOMO energy (Hartree): -0.2575
LUMO energy (Hartree): 0.0599
HOMO-LUMO gap (Hartree): 0.3174
Electronic spatial extent r2 (Bohr^2): 1005.8506
Zero-point vibrational energy (Hartree): 0.097325
Internal energy at 0 K (Hartree): -568.144315
Internal energy at 298.15 K (Hartree): -568.13695
Enthalpy at 298.15 K (Hartree): -568.136006
Free energy at 298.15 K (Hartree): -568.176858
Heat capacity at 298.15 K (cal/mol K): 27.573
Atomization energy at 0 K (kcal/mol): -1373.191122389
Atomization energy at 298.15 K (kcal/mol): -1381.012394565
Atomization enthalpy at 298.15 K (kcal/mol): -1388.716322558
Atomization free energy at 298.15 K (kcal/mol): -1277.2782542661