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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 55
Choose the bonds for HCO+ (Formyl cation)
Species Name Level
HCO+ Formyl cation HF/6-31G*
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hcoq1.gif
atom number atom type x (Å) y (Å) z (Å) Atom1 Atom2 atom number
1 C 0.0000 0.0000 -0.5073 1
2 H 0.0000 0.0000 -1.5932 2
3 O 0.0000 0.0000 0.5796 3