Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/3-21G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.33 | 2.34 | 2.34 | 2.34 | 2.34 | 2.34 | 2.34 | 2.34 | 2.34 | 2.34 | 2.34 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.341 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsCl | Arsenic monochloride | 2.336 |
Highest value | AsCl3 | Arsenous trichloride | 2.343 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsCl | Arsenic monochloride | 2.336 | 1 | 2 |
AsCl3 | Arsenous trichloride | 2.343 | 1 | 2 |
2.343 | 1 | 3 | ||
2.343 | 1 | 4 |