Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/STO-3G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.73 | 1.74 | 1.74 | 1.75 | 1.75 | 1.76 | 1.76 | 1.77 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.745 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | N(SiH3)3 | trisilylamine | 1.738 |
Highest value | SiH3NH2 | Silane, amino | 1.764 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH3NH2 | Silane, amino | 1.764 | 1 | 2 |
N(SiH3)3 | trisilylamine | 1.738 | 1 | 2 |
1.738 | 1 | 3 | ||
1.738 | 1 | 4 |