Molecule SMILES: C1CCC(C1)C(F)(F)F
Rotational constants A, B, C (GHz): 2.9212, 1.21137, 1.07883
Dipole moment mu (Debye): 2.1757
Isotropic polarizability alpha (Bohr^3): 63.72
HOMO energy (Hartree): -0.3295
LUMO energy (Hartree): 0.0742
HOMO-LUMO gap (Hartree): 0.4037
Electronic spatial extent r2 (Bohr^2): 1150.7833
Zero-point vibrational energy (Hartree): 0.146035
Internal energy at 0 K (Hartree): -533.487363
Internal energy at 298.15 K (Hartree): -533.479169
Enthalpy at 298.15 K (Hartree): -533.478225
Free energy at 298.15 K (Hartree): -533.521102
Heat capacity at 298.15 K (cal/mol K): 30.72
Atomization energy at 0 K (kcal/mol): -1724.447442756
Atomization energy at 298.15 K (kcal/mol): -1735.303348456
Atomization enthalpy at 298.15 K (kcal/mol): -1745.379260469
Atomization free energy at 298.15 K (kcal/mol): -1602.7991755251