<
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 CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene)
Species Name Level
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene HF/6-31G*
Select two atoms.
Reload or Refresh the page to clear the atom selection.
cfclcclf.gif
atom number atom type x (Å) y (Å) z (Å) Atom1 Atom2 atom number
1 C -0.0634 0.6518 0.0000 1
2 C 0.0634 -0.6518 0.0000 2
3 F -1.2437 1.2221 0.0000 3
4 F 1.2437 -1.2221 0.0000 4
5 Cl 1.2437 1.7451 0.0000 5
6 Cl -1.2437 -1.7451 0.0000 6