Determine point group
| Number of atoms | 10 |
| Sum formula | C4 H6 |
| Molecular weight | 54.05 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 42.4731 |
| Rotational Constant B (GHz) | 4.4257 |
| Rotational Constant C (GHz) | 4.0081 |
| Ray's asymmetry parameter | -0.9783 |
| Classification : Asymmetric top | |
| Symmetry adapted cartesian coordinates | |||||
|---|---|---|---|---|---|
| Atom Number | Atomic Symbol | Atomic Number | x-Coordinate (Angstrom) | y-Coordinate (Angstrom) | z-Coordinate (Angstrom) |
| 1 | C | 6 | 0.610726 | -0.396515 | 0.000000 |
| 2 | C | 6 | -0.610726 | 0.396515 | 0.000000 |
| 3 | C | 6 | 1.844526 | 0.118392 | 0.000000 |
| 4 | C | 6 | -1.844526 | -0.118392 | 0.000000 |
| 5 | H | 1 | 0.483150 | -1.477264 | 0.000000 |
| 6 | H | 1 | -0.483150 | 1.477264 | 0.000000 |
| 7 | H | 1 | 2.010854 | 1.191113 | 0.000000 |
| 8 | H | 1 | -2.010854 | -1.191113 | 0.000000 |
| 9 | H | 1 | 2.724811 | -0.513136 | 0.000000 |
| 10 | H | 1 | -2.724811 | 0.513136 | 0.000000 |
| Determined point group | C2h |
|---|---|
| Subgroups | Cs , Ci , C2 |
 3N representation |
|||||
|---|---|---|---|---|---|
| group | E | C2 (z) | i |  h |
- |
| C2h | 30 | 0 | 0 | 10 | Submit |
| Cs | 30 | 0 | - | - | Submit |
| Ci | 30 | - | 0 | - | Submit |
| C2 | 30 | - | - | 10 | Submit |
