Determine point group
| Number of atoms | 15 |
| Sum formula | C6 H6 O3 |
| Molecular weight | 126.03 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 1.8277 |
| Rotational Constant B (GHz) | 1.8277 |
| Rotational Constant C (GHz) | 0.9139 |
| 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 | 1.386600 | 0.000000 | 0.000000 |
| 2 | C | 6 | -0.693300 | -1.200831 | 0.000000 |
| 3 | C | 6 | -0.693300 | 1.200831 | 0.000000 |
| 4 | C | 6 | 0.703631 | -1.213339 | 0.000000 |
| 5 | C | 6 | -1.402597 | -0.002693 | 0.000000 |
| 6 | C | 6 | 0.698967 | 1.216031 | 0.000000 |
| 7 | O | 8 | 2.749709 | 0.065869 | 0.000000 |
| 8 | O | 8 | -1.317811 | -2.414253 | 0.000000 |
| 9 | O | 8 | -1.431899 | 2.348384 | 0.000000 |
| 10 | H | 1 | 3.107639 | -0.827819 | 0.000000 |
| 11 | H | 1 | -2.270732 | -2.277385 | 0.000000 |
| 12 | H | 1 | -0.836907 | 3.105204 | 0.000000 |
| 13 | H | 1 | 1.225487 | -2.163455 | 0.000000 |
| 14 | H | 1 | -2.486351 | 0.020425 | 0.000000 |
| 15 | H | 1 | 1.260864 | 2.143031 | 0.000000 |
| Determined point group | C3h |
|---|---|
| Subgroups | Cs , C3 |
 3N representation |
|||||||
|---|---|---|---|---|---|---|---|
| group | E | C3(z) | (C3)2 |  h |
S3 | (S3)5 | - |
| C3h | 45 | 0 | 0 | 15 | 0 | 0 | Submit |
| Cs | 45 | - | - | 15 | - | - | Submit |
| C3 | 45 | 0 | 0 | - | - | - | Submit |
