Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/6-31G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.511 | 0.026 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsH4+ | Arsonium | 1.482 |
Highest value | AsH | Arsenic monohydride | 1.549 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsH | Arsenic monohydride | 1.549 | 1 | 2 |
AsH+ | Arsenic monohydride cation | 1.543 | 1 | 2 |
AsH2+ | Arsenic dihydride cation | 1.538 | 1 | 2 |
1.538 | 1 | 3 | ||
AsH3 | Arsine | 1.531 | 1 | 2 |
1.531 | 1 | 3 | ||
1.531 | 1 | 4 | ||
AsH3+ | Arsine cation | 1.492 | 1 | 2 |
1.492 | 1 | 3 | ||
1.492 | 1 | 4 | ||
AsH4+ | Arsonium | 1.482 | 1 | 2 |
1.482 | 1 | 3 | ||
1.482 | 1 | 4 | ||
1.482 | 1 | 5 | ||
AsF3H+ | Arsenic trifluoride, protonated | 1.492 | 1 | 2 |