Molecule SMILES: FC(F)(F)CCC1CO1
Rotational constants A, B, C (GHz): 3.96659, 0.71241, 0.69913
Dipole moment mu (Debye): 2.3795
Isotropic polarizability alpha (Bohr^3): 58.16
HOMO energy (Hartree): -0.2757
LUMO energy (Hartree): 0.0927
HOMO-LUMO gap (Hartree): 0.3684
Electronic spatial extent r2 (Bohr^2): 1565.2105
Zero-point vibrational energy (Hartree): 0.11977
Internal energy at 0 K (Hartree): -569.378602
Internal energy at 298.15 K (Hartree): -569.369829
Enthalpy at 298.15 K (Hartree): -569.368885
Free energy at 298.15 K (Hartree): -569.413735
Heat capacity at 298.15 K (cal/mol K): 30.927
Atomization energy at 0 K (kcal/mol): -1519.865703558
Atomization energy at 298.15 K (kcal/mol): -1528.5805485501
Atomization enthalpy at 298.15 K (kcal/mol): -1537.470468553
Atomization free energy at 298.15 K (kcal/mol): -1412.207121973