Molecule SMILES: C1CC(C1)C(F)(F)F
Rotational constants A, B, C (GHz): 3.7138, 1.49465, 1.35927
Dipole moment mu (Debye): 2.1985
Isotropic polarizability alpha (Bohr^3): 53.65
HOMO energy (Hartree): -0.3185
LUMO energy (Hartree): 0.0809
HOMO-LUMO gap (Hartree): 0.3994
Electronic spatial extent r2 (Bohr^2): 921.4627
Zero-point vibrational energy (Hartree): 0.116107
Internal energy at 0 K (Hartree): -494.170733
Internal energy at 298.15 K (Hartree): -494.163382
Enthalpy at 298.15 K (Hartree): -494.162438
Free energy at 298.15 K (Hartree): -494.203105
Heat capacity at 298.15 K (cal/mol K): 26.845
Atomization energy at 0 K (kcal/mol): -1429.949938948
Atomization energy at 298.15 K (kcal/mol): -1438.6685489941
Atomization enthalpy at 298.15 K (kcal/mol): -1446.966100501
Atomization free energy at 298.15 K (kcal/mol): -1329.941947091