Determine point group
| Number of atoms | 16 |
| Sum formula | C8 H4 Cl4 |
| Molecular weight | 239.91 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 0.4430 |
| Rotational Constant B (GHz) | 0.4430 |
| Rotational Constant C (GHz) | 0.2842 |
| Ray's asymmetry parameter | 1.0000 |
| Classification : Symmetric top (oblate) | |
| Symmetry adapted cartesian coordinates | |||||
|---|---|---|---|---|---|
| Atom Number | Atomic Symbol | Atomic Number | x-Coordinate (Angstrom) | y-Coordinate (Angstrom) | z-Coordinate (Angstrom) |
| 1 | C | 6 | 1.701666 | 0.000000 | 0.375350 |
| 2 | C | 6 | 1.175482 | 1.230410 | 0.375350 |
| 3 | C | 6 | -1.175482 | -1.230410 | 0.375350 |
| 4 | C | 6 | -1.701666 | 0.000000 | 0.375350 |
| 5 | C | 6 | 1.230410 | -1.175482 | -0.375350 |
| 6 | C | 6 | 0.000000 | -1.701666 | -0.375350 |
| 7 | C | 6 | -1.230410 | 1.175482 | -0.375350 |
| 8 | C | 6 | 0.000000 | 1.701666 | -0.375350 |
| 9 | Cl | 17 | 3.234807 | -0.249687 | 1.295461 |
| 10 | H | 1 | 1.705402 | 2.003119 | 0.930352 |
| 11 | H | 1 | -1.705402 | -2.003119 | 0.930352 |
| 12 | Cl | 17 | -3.234807 | 0.249687 | 1.295461 |
| 13 | H | 1 | 2.003119 | -1.705402 | -0.930352 |
| 14 | Cl | 17 | -0.249687 | -3.234807 | -1.295461 |
| 15 | H | 1 | -2.003119 | 1.705402 | -0.930352 |
| 16 | Cl | 17 | 0.249687 | 3.234807 | -1.295461 |
| Determined point group | S4 |
|---|---|
| Subgroup | C2 |
 3N representation |
|||||
|---|---|---|---|---|---|
| group | E | S4 | C2 | (S4)3 | - |
| S4 | 48 | 0 | 0 | 0 | Submit |
| C2 | 48 | - | 0 | - | Submit |
