Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP4/3-21G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.01 | 2.02 | 2.02 | 2.03 | 2.03 | 2.04 | 2.04 | 2.05 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.023 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Al(CH3)3 | trimethyl aluminum | 2.016 |
Highest value | AlC | Aluminum carbide | 2.044 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlC | Aluminum carbide | 2.044 | 1 | 2 |
Al(CH3)3 | trimethyl aluminum | 2.016 | 1 | 2 |
2.016 | 1 | 3 | ||
2.016 | 1 | 4 |