Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/cc-pVDZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.808 | 0.267 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiN- | silicon mononitride anion | 1.562 |
Highest value | SiN+ | silicon mononitride cation | 2.436 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiN- | silicon mononitride anion | 1.562 | 1 | 2 |
SiN | Silicon nitride | 1.620 | 1 | 2 |
SiN+ | silicon mononitride cation | 2.436 | 1 | 2 |
SiH3NH2 | Silane, amino | 1.744 | 1 | 2 |
N(SiH3)3 | trisilylamine | 1.764 | 1 | 2 |
1.764 | 1 | 3 | ||
1.764 | 1 | 4 |