Determine point group
| Number of atoms | 11 |
| Sum formula | C5 FeO5 |
| Molecular weight | 195.91 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 0.9165 |
| Rotational Constant B (GHz) | 0.7983 |
| Rotational Constant C (GHz) | 0.7983 |
| Ray's asymmetry parameter | -1.0000 |
| Classification : Symmetric top (prolate) | |
| Symmetry adapted cartesian coordinates | |||||
|---|---|---|---|---|---|
| Atom Number | Atomic Symbol | Atomic Number | x-Coordinate (Angstrom) | y-Coordinate (Angstrom) | z-Coordinate (Angstrom) |
| 1 | Fe | 26 | 0.000000 | 0.000000 | 0.000000 |
| 2 | C | 6 | 1.842000 | 0.000000 | 0.000000 |
| 3 | C | 6 | 0.000000 | 0.000000 | 1.810000 |
| 4 | C | 6 | -0.921000 | -1.595219 | 0.000000 |
| 5 | C | 6 | -0.921000 | 1.595219 | 0.000000 |
| 6 | C | 6 | 0.000000 | 0.000000 | -1.810000 |
| 7 | O | 8 | 2.991000 | 0.000000 | 0.000000 |
| 8 | O | 8 | -1.495500 | -2.590282 | 0.000000 |
| 9 | O | 8 | -1.495500 | 2.590282 | 0.000000 |
| 10 | O | 8 | 0.000000 | 0.000000 | 2.952000 |
| 11 | O | 8 | 0.000000 | 0.000000 | -2.952000 |
| Determined point group | D3h |
|---|---|
| Subgroups
(Number of different orientations) |
Cs (2) , C2 , C3 , D3 , C2v , C3v , C3h |
 3N representation |
|||||||
|---|---|---|---|---|---|---|---|
| group | E | 2C3 (z) | 3C'2 |  h (xy) |
2S3 | 3v |
- |
| D3h | 33 | 0 | -3 | 7 | -2 | 7 | Submit |
| Cs | 33 | - | - | 7 | - | - | Submit |
| Cs | 33 | - | - | - | - | 7 | Submit |
| C2 | 33 | - | -3 | - | - | - | Submit |
| C3 | 33 | 0 | - | - | - | - | Submit |
| D3 | 33 | 0 | -3 | - | - | - | Submit |
| C2v | 33 | - | -3 | 7 | - | 7 | Submit |
| C3v | 33 | 0 | - | - | - | 7 | Submit |
| C3h | 33 | 0 | - | 7 | -2 | - | Submit |
