Determine point group
| Number of atoms | 8 |
| Sum formula | C2 H3 Cl3 |
| Molecular weight | 131.93 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 2.3169 |
| Rotational Constant B (GHz) | 2.3169 |
| Rotational Constant C (GHz) | 1.6572 |
| 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 | 0.000000 | 0.000000 | -1.826293 |
| 2 | C | 6 | 0.000000 | 0.000000 | -0.311093 |
| 3 | H | 1 | 1.027204 | 0.000000 | -2.191815 |
| 4 | H | 1 | -0.513602 | -0.889585 | -2.191815 |
| 5 | H | 1 | -0.513602 | 0.889585 | -2.191815 |
| 6 | Cl | 17 | 1.299257 | 1.090206 | 0.307658 |
| 7 | Cl | 17 | -1.593774 | 0.580086 | 0.307658 |
| 8 | Cl | 17 | 0.294518 | -1.670292 | 0.307658 |
| Determined point group | C3 |
|---|
 3N representation |
||||
|---|---|---|---|---|
| group | E | C3 | (C3)2 | - |
| C3 | 24 | 0 | 0 | Submit |
