Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)=FULL/daug-cc-pVTZ
Calculated Bond lengths
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Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
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AlCN | Aluminum monocyanide | 2.011 | 1 | 2 |