Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/6-311G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.48 | 1.49 | 1.49 | 1.50 | 1.50 | 1.51 | 1.51 | 1.52 | 1.52 | 1.53 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.502 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsH3+ | Arsine cation | 1.489 |
Highest value | AsH | Arsenic monohydride | 1.524 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsH | Arsenic monohydride | 1.524 | 1 | 2 |
AsH+ | Arsenic monohydride cation | 1.522 | 1 | 2 |
AsH3+ | Arsine cation | 1.489 | 1 | 2 |
1.489 | 1 | 3 | ||
1.489 | 1 | 4 |