Determine point group
| Number of atoms | 7 |
| Sum formula | C3 H4 |
| Molecular weight | 40.03 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 145.8008 |
| Rotational Constant B (GHz) | 8.9458 |
| Rotational Constant C (GHz) | 8.9458 |
| 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 | C | 6 | 0.000000 | 0.000000 | 0.000000 |
| 2 | C | 6 | 0.000000 | 0.000000 | 1.302400 |
| 3 | H | 1 | 0.655687 | -0.655687 | 1.866914 |
| 4 | H | 1 | -0.655687 | 0.655687 | 1.866914 |
| 5 | C | 6 | 0.000000 | 0.000000 | -1.302400 |
| 6 | H | 1 | 0.655687 | 0.655687 | -1.866914 |
| 7 | H | 1 | -0.655687 | -0.655687 | -1.866914 |
| Determined point group | D2d |
|---|---|
| Subgroups
(Number of different orientations) |
Cs , C2 (2) , D2 , C2v , S4 |
 3N representation |
||||||
|---|---|---|---|---|---|---|
| group | E | 2S4 | C2 (z) | 2C'2 | 2 d |
- |
| D2d | 21 | -1 | -3 | -1 | 5 | Submit |
| Cs | 21 | - | - | - | 5 | Submit |
| C2 | 21 | - | -3 | - | - | Submit |
| C2 | 21 | - | - | -1 | - | Submit |
| D2 | 21 | - | -3 | -1 | - | Submit |
| C2v | 21 | - | -3 | - | 5 | Submit |
| S4 | 21 | -1 | -3 | - | - | Submit |
