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 |
B3PW91/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.90 | 1.92 | 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.006 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaCl | Gallium monochloride | 1.901 |
Highest value | GaCl+ | Gallium monochloride cation | 2.040 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaCl | Gallium monochloride | 1.901 | 1 | 2 |
GaCl+ | Gallium monochloride cation | 2.040 | 1 | 2 |
GaCl3 | Gallium trichloride | 2.030 | 1 | 2 |
2.030 | 1 | 3 | ||
2.030 | 1 | 4 |