Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.96 | 1.97 | 1.98 | 1.99 | 2.00 | 2.01 | 2.02 | 2.03 | 2.04 | 2.05 | 2.06 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.989 | 0.029 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Al(CH3)3 | trimethyl aluminum | 1.970 |
Highest value | AlCN | Aluminum monocyanide | 2.046 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlC | Aluminum carbide | 1.989 | 1 | 2 |
AlCN | Aluminum monocyanide | 2.046 | 1 | 2 |
Al(CH3)3 | trimethyl aluminum | 1.970 | 1 | 2 |
1.970 | 1 | 3 | ||
1.970 | 1 | 4 |