Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/STO-3G
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.71 | 1.72 | 1.72 | 1.73 | 1.73 | 1.74 | 1.74 | 1.75 | 1.75 | 1.76 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.741 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.716 |
Highest value | AsF5 | Arsenic pentafluoride | 1.755 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsF | Arsenic monofluoride | 1.729 | 1 | 2 |
AsF3 | Arsenic trifluoride | 1.752 | 1 | 2 |
1.752 | 1 | 3 | ||
1.752 | 1 | 4 | ||
AsF3H+ | Arsenic trifluoride, protonated | 1.716 | 1 | 3 |
1.716 | 1 | 4 | ||
1.716 | 1 | 5 | ||
AsF5 | Arsenic pentafluoride | 1.750 | 1 | 2 |
1.750 | 1 | 3 | ||
1.750 | 1 | 4 | ||
1.755 | 1 | 5 | ||
1.755 | 1 | 6 |