Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/aug-cc-pVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.52 | 1.52 | 1.53 | 1.53 | 1.54 | 1.54 | 1.55 | 1.55 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.539 | 0.009 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.523 |
Highest value | AsH2+ | Arsenic dihydride cation | 1.549 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsH | Arsenic monohydride | 1.546 | 1 | 2 |
AsH2+ | Arsenic dihydride cation | 1.549 | 1 | 2 |
1.549 | 1 | 3 | ||
AsH3 | Arsine | 1.535 | 1 | 2 |
1.535 | 1 | 3 | ||
1.535 | 1 | 4 | ||
AsF3H+ | Arsenic trifluoride, protonated | 1.523 | 1 | 2 |