Molecule SMILES: OC1CC(C1)C(F)(F)F
Rotational constants A, B, C (GHz): 3.50499, 0.99939, 0.94994
Dipole moment mu (Debye): 1.7828
Isotropic polarizability alpha (Bohr^3): 57.53
HOMO energy (Hartree): -0.2682
LUMO energy (Hartree): 0.064
HOMO-LUMO gap (Hartree): 0.3322
Electronic spatial extent r2 (Bohr^2): 1219.8211
Zero-point vibrational energy (Hartree): 0.120357
Internal energy at 0 K (Hartree): -569.386753
Internal energy at 298.15 K (Hartree): -569.378287
Enthalpy at 298.15 K (Hartree): -569.377342
Free energy at 298.15 K (Hartree): -569.420506
Heat capacity at 298.15 K (cal/mol K): 31.246
Atomization energy at 0 K (kcal/mol): -1524.9805294171
Atomization energy at 298.15 K (kcal/mol): -1533.888019672
Atomization enthalpy at 298.15 K (kcal/mol): -1542.7773121661
Atomization free energy at 298.15 K (kcal/mol): -1416.4559854121