Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD/cc-pVQZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.47 | 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 |
---|---|
1.487 | 0.019 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsH4+ | Arsonium | 1.471 |
Highest value | AsH+ | Arsenic monohydride cation | 1.515 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsH | Arsenic monohydride | 1.513 | 1 | 2 |
AsH+ | Arsenic monohydride cation | 1.515 | 1 | 2 |
AsH2+ | Arsenic dihydride cation | 1.509 | 1 | 2 |
1.509 | 1 | 3 | ||
AsH3+ | Arsine cation | 1.476 | 1 | 2 |
1.476 | 1 | 3 | ||
1.476 | 1 | 4 | ||
AsH4+ | Arsonium | 1.471 | 1 | 2 |
1.471 | 1 | 3 | ||
1.471 | 1 | 4 | ||
1.471 | 1 | 5 |