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/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.47 | 1.48 | 1.48 | 1.49 | 1.49 | 1.50 | 1.50 | 1.51 | 1.51 | 1.52 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.492 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.476 |
Highest value | AsH | Arsenic monohydride | 1.512 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsH | Arsenic monohydride | 1.512 | 1 | 2 |
AsH+ | Arsenic monohydride cation | 1.511 | 1 | 2 |
AsH2+ | Arsenic dihydride cation | 1.507 | 1 | 2 |
1.507 | 1 | 3 | ||
AsH3 | Arsine | 1.506 | 1 | 2 |
1.506 | 1 | 3 | ||
1.506 | 1 | 4 | ||
AsH3+ | Arsine cation | 1.480 | 1 | 2 |
1.480 | 1 | 3 | ||
1.480 | 1 | 4 | ||
AsH4+ | Arsonium | 1.477 | 1 | 2 |
1.477 | 1 | 3 | ||
1.477 | 1 | 4 | ||
1.477 | 1 | 5 | ||
AsF3H+ | Arsenic trifluoride, protonated | 1.476 | 1 | 2 |