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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 53
Choose the bonds for HSiCl (Chlorosilylene)
Species Name Level
HSiCl Chlorosilylene HF/6-31G*
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hsicl.gif
atom number atom type x (Å) y (Å) z (Å) Atom1 Atom2 atom number
1 Si 0.0468 1.1068 0.0000 1
2 Cl 0.0468 -0.9850 0.0000 2
3 H -1.4507 1.2502 0.0000 3