Determine point group
| Number of atoms | 16 |
| Sum formula | C8 H6 N2 |
| Molecular weight | 130.05 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 3.1829 |
| Rotational Constant B (GHz) | 1.3126 |
| Rotational Constant C (GHz) | 0.9293 |
| Ray's asymmetry parameter | -0.6598 |
| 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 | -0.030613 | -0.712743 | 0.000000 |
| 2 | C | 6 | 0.030613 | 0.712743 | 0.000000 |
| 3 | N | 7 | -1.204728 | -1.403427 | 0.000000 |
| 4 | N | 7 | 1.204728 | 1.403427 | 0.000000 |
| 5 | C | 6 | -2.318101 | -0.703507 | 0.000000 |
| 6 | C | 6 | 2.318101 | 0.703507 | 0.000000 |
| 7 | C | 6 | -1.195512 | 1.421230 | 0.000000 |
| 8 | C | 6 | 1.195512 | -1.421230 | 0.000000 |
| 9 | C | 6 | -2.369765 | 0.712804 | 0.000000 |
| 10 | C | 6 | 2.369765 | -0.712804 | 0.000000 |
| 11 | H | 1 | -3.244558 | -1.273011 | 0.000000 |
| 12 | H | 1 | 3.244558 | 1.273011 | 0.000000 |
| 13 | H | 1 | -3.330771 | 1.213678 | 0.000000 |
| 14 | H | 1 | 3.330771 | -1.213678 | 0.000000 |
| 15 | H | 1 | -1.163434 | 2.504355 | 0.000000 |
| 16 | H | 1 | 1.163434 | -2.504355 | 0.000000 |
| Determined point group | C2h |
|---|---|
| Subgroups | Cs , Ci , C2 |
 3N representation |
|||||
|---|---|---|---|---|---|
| group | E | C2 (z) | i |  h |
- |
| C2h | 48 | 0 | 0 | 16 | Submit |
| Cs | 48 | 0 | - | - | Submit |
| Ci | 48 | - | 0 | - | Submit |
| C2 | 48 | - | - | 16 | Submit |
