Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B1B95/aug-cc-pVDZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.49 | 1.49 | 1.50 | 1.50 | 1.51 | 1.51 | 1.52 | 1.52 | 1.53 | 1.53 | 1.54 | 1.54 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.513 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsH4+ | Arsonium | 1.492 |
Highest value | AsH+ | Arsenic monohydride cation | 1.539 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsH | Arsenic monohydride | 1.535 | 1 | 2 |
AsH+ | Arsenic monohydride cation | 1.539 | 1 | 2 |
AsH2+ | Arsenic dihydride cation | 1.533 | 1 | 2 |
1.533 | 1 | 3 | ||
AsH3 | Arsine | 1.524 | 1 | 2 |
1.524 | 1 | 3 | ||
1.524 | 1 | 4 | ||
AsH3+ | Arsine cation | 1.502 | 1 | 2 |
1.502 | 1 | 3 | ||
1.502 | 1 | 4 | ||
AsH4+ | Arsonium | 1.492 | 1 | 2 |
1.492 | 1 | 3 | ||
1.492 | 1 | 4 | ||
1.492 | 1 | 5 | ||
AsF3H+ | Arsenic trifluoride, protonated | 1.502 | 1 | 2 |