Determine point group
| Number of atoms | 34 |
| Sum formula | C20 H14 |
| Molecular weight | 254.11 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 0.4080 |
| Rotational Constant B (GHz) | 0.4080 |
| Rotational Constant C (GHz) | 0.2722 |
| 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 | 1.408804 | 0.000000 | -0.701550 |
| 2 | C | 6 | 1.408804 | 0.000000 | 0.701550 |
| 3 | C | 6 | 0.000000 | 0.000000 | -1.295783 |
| 4 | C | 6 | 0.000000 | 0.000000 | 1.295783 |
| 5 | H | 1 | 0.000000 | 0.000000 | -2.386183 |
| 6 | H | 1 | 0.000000 | 0.000000 | 2.386183 |
| 7 | C | 6 | -0.704402 | 1.220060 | -0.701550 |
| 8 | C | 6 | -0.704402 | 1.220060 | 0.701550 |
| 9 | C | 6 | -0.704402 | -1.220060 | -0.701550 |
| 10 | C | 6 | -0.704402 | -1.220060 | 0.701550 |
| 11 | C | 6 | 2.605904 | 0.000000 | -1.401668 |
| 12 | C | 6 | 2.605904 | 0.000000 | 1.401668 |
| 13 | C | 6 | -1.302952 | 2.256779 | -1.401668 |
| 14 | C | 6 | -1.302952 | 2.256779 | 1.401668 |
| 15 | C | 6 | -1.302952 | -2.256779 | -1.401668 |
| 16 | C | 6 | -1.302952 | -2.256779 | 1.401668 |
| 17 | C | 6 | 3.813819 | 0.000000 | -0.695678 |
| 18 | C | 6 | 3.813819 | 0.000000 | 0.695678 |
| 19 | C | 6 | -1.906910 | 3.302864 | -0.695678 |
| 20 | C | 6 | -1.906910 | 3.302864 | 0.695678 |
| 21 | C | 6 | -1.906910 | -3.302864 | -0.695678 |
| 22 | C | 6 | -1.906910 | -3.302864 | 0.695678 |
| 23 | H | 1 | 2.607059 | 0.000000 | -2.486767 |
| 24 | H | 1 | 2.607059 | 0.000000 | 2.486767 |
| 25 | H | 1 | -1.303530 | 2.257780 | -2.486767 |
| 26 | H | 1 | -1.303530 | 2.257780 | 2.486767 |
| 27 | H | 1 | -1.303530 | -2.257780 | -2.486767 |
| 28 | H | 1 | -1.303530 | -2.257780 | 2.486767 |
| 29 | H | 1 | 4.753322 | 0.000000 | -1.236811 |
| 30 | H | 1 | 4.753322 | 0.000000 | 1.236811 |
| 31 | H | 1 | -2.376661 | 4.116497 | -1.236811 |
| 32 | H | 1 | -2.376661 | 4.116497 | 1.236811 |
| 33 | H | 1 | -2.376661 | -4.116497 | -1.236811 |
| 34 | H | 1 | -2.376661 | -4.116497 | 1.236811 |
| Determined point group | D3h |
|---|---|
| Subgroups
(Number of different orientations) |
Cs (2) , C2 , C3 , D3 , C2v , C3v , C3h |
 3N representation |
|||||||
|---|---|---|---|---|---|---|---|
| group | E | 2C3 (z) | 3C'2 |  h (xy) |
2S3 | 3v |
- |
| D3h | 102 | 0 | 0 | 0 | 0 | 14 | Submit |
| Cs | 102 | - | - | 0 | - | - | Submit |
| Cs | 102 | - | - | - | - | 14 | Submit |
| C2 | 102 | - | 0 | - | - | - | Submit |
| C3 | 102 | 0 | - | - | - | - | Submit |
| D3 | 102 | 0 | 0 | - | - | - | Submit |
| C2v | 102 | - | 0 | 0 | - | 14 | Submit |
| C3v | 102 | 0 | - | - | - | 14 | Submit |
| C3h | 102 | 0 | - | 0 | 0 | - | Submit |
