Molecule SMILES: CC(C1CC1)C(F)(F)F
Rotational constants A, B, C (GHz): 2.5307, 1.23104, 1.01301
Dipole moment mu (Debye): 2.0698
Isotropic polarizability alpha (Bohr^3): 64.42
HOMO energy (Hartree): -0.2903
LUMO energy (Hartree): 0.0866
HOMO-LUMO gap (Hartree): 0.3768
Electronic spatial extent r2 (Bohr^2): 1205.236
Zero-point vibrational energy (Hartree): 0.143306
Internal energy at 0 K (Hartree): -533.457959
Internal energy at 298.15 K (Hartree): -533.448891
Enthalpy at 298.15 K (Hartree): -533.447947
Free energy at 298.15 K (Hartree): -533.492278
Heat capacity at 298.15 K (cal/mol K): 33.468
Atomization energy at 0 K (kcal/mol): -1705.99616812
Atomization energy at 298.15 K (kcal/mol): -1716.3036309541
Atomization enthalpy at 298.15 K (kcal/mol): -1726.3795429671
Atomization free energy at 298.15 K (kcal/mol): -1584.7118561091