Determine point group
| Number of atoms | 25 |
| Sum formula | C12 CrH12 |
| Molecular weight | 208.03 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 1.3898 |
| Rotational Constant B (GHz) | 0.8346 |
| Rotational Constant C (GHz) | 0.8346 |
| 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 | Cr | 24 | 0.000000 | 0.000000 | 0.000000 |
| 2 | C | 6 | 1.366399 | -0.366125 | 1.647600 |
| 3 | C | 6 | 0.366125 | -1.366399 | 1.647600 |
| 4 | C | 6 | -1.000273 | -1.000273 | 1.647600 |
| 5 | C | 6 | -1.366399 | 0.366125 | 1.647600 |
| 6 | C | 6 | -0.366125 | 1.366399 | 1.647600 |
| 7 | C | 6 | 1.000273 | 1.000273 | 1.647600 |
| 8 | H | 1 | 2.412883 | -0.646530 | 1.647600 |
| 9 | H | 1 | 0.646530 | -2.412883 | 1.647600 |
| 10 | H | 1 | -1.766353 | -1.766353 | 1.647600 |
| 11 | H | 1 | -2.412883 | 0.646530 | 1.647600 |
| 12 | H | 1 | -0.646530 | 2.412883 | 1.647600 |
| 13 | H | 1 | 1.766353 | 1.766353 | 1.647600 |
| 14 | C | 6 | 1.366399 | 0.366125 | -1.647600 |
| 15 | C | 6 | 0.366125 | 1.366399 | -1.647600 |
| 16 | C | 6 | -1.000273 | 1.000273 | -1.647600 |
| 17 | C | 6 | -1.366399 | -0.366125 | -1.647600 |
| 18 | C | 6 | -0.366125 | -1.366399 | -1.647600 |
| 19 | C | 6 | 1.000273 | -1.000273 | -1.647600 |
| 20 | H | 1 | 2.412883 | 0.646530 | -1.647600 |
| 21 | H | 1 | 0.646530 | 2.412883 | -1.647600 |
| 22 | H | 1 | -1.766353 | 1.766353 | -1.647600 |
| 23 | H | 1 | -2.412883 | -0.646530 | -1.647600 |
| 24 | H | 1 | -0.646530 | -2.412883 | -1.647600 |
| 25 | H | 1 | 1.766353 | -1.766353 | -1.647600 |
| Determined point group | D6d |
|---|---|
| Subgroups
(Number of different orientations) |
Cs , C2 (2) , C3 , C6 , D2 , D3 , D6 , C2v , C3v , C6v , D2d , S4 , S12 |
 3N representation |
||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| group | E | 2S12 | 2C6 | 2S4 | 2C3 | 2(S12)5 | C2 | 6C'2 | 6 d |
- |
| D6d | 75 | 0.7321 | 2 | -1 | 0 | -2.7321 | -1 | -1 | 5 | Submit |
| Cs | 75 | - | - | - | - | - | - | - | 5 | Submit |
| C2 | 75 | - | - | - | - | - | -1 | - | - | Submit |
| C2 | 75 | - | - | - | - | - | - | -1 | - | Submit |
| C3 | 75 | - | - | - | 0 | - | - | - | - | Submit |
| C6 | 75 | - | 2 | - | 0 | - | -1 | - | - | Submit |
| D2 | 75 | - | - | - | - | - | -1 | -1 | - | Submit |
| D3 | 75 | - | - | - | 0 | - | - | -1 | - | Submit |
| D6 | 75 | - | 2 | - | 0 | - | -1 | -1 | - | Submit |
| C2v | 75 | - | - | - | - | - | -1 | - | 5 | Submit |
| C3v | 75 | - | - | - | 0 | - | - | - | 5 | Submit |
| C6v | 75 | - | 2 | - | 0 | - | -1 | - | 5 | Submit |
| D2d | 75 | - | - | -1 | - | - | -1 | -1 | 5 | Submit |
| S4 | 75 | - | - | -1 | - | - | -1 | - | - | Submit |
| S12 | 75 | 0.7321 | 2 | -1 | 0 | -2.7321 | -1 | - | - | Submit |
