Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/TZVP
5 | ||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||
1.97 | 1.98 | 1.99 | 2.00 | 2.01 | 2.02 | 2.03 | 2.04 | 2.05 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.008 | 0.030 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlC | Aluminum carbide | 1.978 |
Highest value | AlCN | Aluminum monocyanide | 2.039 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlC | Aluminum carbide | 1.978 | 1 | 2 |
AlCN | Aluminum monocyanide | 2.039 | 1 | 2 |