<
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 SiHF3 (trifluorosilane)
Species Name Level
SiHF3 trifluorosilane HF/6-31G*
Select two atoms.
Reload or Refresh the page to clear the atom selection.
sihf3.gif
atom number atom type x (Å) y (Å) z (Å) Atom1 Atom2 atom number
1 Si 0.0000 0.0000 0.3247 1
2 H 0.0000 0.0000 1.7737 2
3 F 0.0000 1.4658 -0.2341 3
4 F 1.2694 -0.7329 -0.2341 4
5 F -1.2694 -0.7329 -0.2341 5