Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/6-311G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.723 | 0.027 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsF5 | Arsenic pentafluoride | 1.702 |
Highest value | AsF | Arsenic monofluoride | 1.779 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsF | Arsenic monofluoride | 1.779 | 1 | 2 |
AsF5 | Arsenic pentafluoride | 1.702 | 1 | 2 |
1.702 | 1 | 3 | ||
1.702 | 1 | 4 | ||
1.726 | 1 | 5 | ||
1.726 | 1 | 6 |