Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBE1PBE/6-31G(2df,p)
Calculated Bond lengths
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Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
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KCN | Potassium cyanide | 2.683 | 1 | 2 |