<
return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Comparisons > Geometry > Bonds, angles > Core correlation - bond length

Bond Length differences between FROZEN core and FULL (all electrons correlated)

17 10 27 14 55
Choose the bonds for CFCl (chlorofluoromethylene)
Species Name Level
CFCl chlorofluoromethylene HF/6-31G*
Select two atoms.
Reload or Refresh the page to clear the atom selection.
cfcl.gif
atom number atom type x (Å) y (Å) z (Å) Atom1 Atom2 atom number
1 C 0.0000 0.8948 0.0000 1
2 F 1.2674 0.7522 0.0000 2
3 Cl -0.6710 -0.7140 0.0000 3