Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CISD/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.71 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.73 | 1.73 | 1.73 | 1.73 | 1.73 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.727 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH3NH2 | Silane, amino | 1.715 |
Highest value | N(SiH3)3 | trisilylamine | 1.731 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH3NH2 | Silane, amino | 1.715 | 1 | 2 |
N(SiH3)3 | trisilylamine | 1.731 | 1 | 2 |
1.731 | 1 | 3 | ||
1.731 | 1 | 4 |