<
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 AlH3- (aluminum trihydride anion)
Species Name Level
AlH3- aluminum trihydride anion HF/6-31G*
Select two atoms.
Reload or Refresh the page to clear the atom selection.
alh3q-1.gif
atom number atom type x (Å) y (Å) z (Å) Atom1 Atom2 atom number
1 Al 0.0000 0.0000 0.0945 1
2 H 0.0000 1.5639 -0.4095 2
3 H 1.3543 -0.7819 -0.4095 3
4 H -1.3543 -0.7819 -0.4095 4