Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBEultrafine/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.04 | 2.04 | 2.04 | 2.04 | 2.04 | 2.04 | 2.05 | 2.05 | 2.05 | 2.05 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.044 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlC | Aluminum carbide | 2.040 |
Highest value | AlCN | Aluminum monocyanide | 2.047 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlC | Aluminum carbide | 2.040 | 1 | 2 |
AlCN | Aluminum monocyanide | 2.047 | 1 | 2 |