Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-31G*
6 | |||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||
2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.404 | 0.103 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | As2 | Arsenic diatomic | 2.153 |
Highest value | As4 | Arsenic tetramer | 2.446 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
As2 | Arsenic diatomic | 2.153 | 1 | 2 |
As4 | Arsenic tetramer | 2.446 | 1 | 2 |
2.446 | 1 | 3 | ||
2.446 | 1 | 4 | ||
2.446 | 2 | 3 | ||
2.446 | 2 | 4 | ||
2.446 | 3 | 4 |