Determine point group
| Number of atoms | 30 |
| Sum formula | C18 H12 |
| Molecular weight | 228.09 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 1.6389 |
| Rotational Constant B (GHz) | 0.2140 |
| Rotational Constant C (GHz) | 0.1893 |
| Ray's asymmetry parameter | -0.9659 |
| 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 | 0.725050 | 0.000000 | 0.000000 |
| 2 | C | 6 | -0.725050 | 0.000000 | 0.000000 |
| 3 | C | 6 | 1.404478 | -1.233681 | 0.000000 |
| 4 | C | 6 | 1.404478 | 1.233681 | 0.000000 |
| 5 | C | 6 | -1.404478 | -1.233681 | 0.000000 |
| 6 | C | 6 | -1.404478 | 1.233681 | 0.000000 |
| 7 | C | 6 | 0.724858 | -2.446435 | 0.000000 |
| 8 | C | 6 | 0.724858 | 2.446435 | 0.000000 |
| 9 | C | 6 | -0.724858 | -2.446435 | 0.000000 |
| 10 | C | 6 | -0.724858 | 2.446435 | 0.000000 |
| 11 | C | 6 | 1.407194 | -3.706443 | 0.000000 |
| 12 | C | 6 | 1.407194 | 3.706443 | 0.000000 |
| 13 | C | 6 | -1.407194 | -3.706443 | 0.000000 |
| 14 | C | 6 | -1.407194 | 3.706443 | 0.000000 |
| 15 | C | 6 | 0.714632 | -4.880960 | 0.000000 |
| 16 | C | 6 | 0.714632 | 4.880960 | 0.000000 |
| 17 | C | 6 | -0.714632 | -4.880960 | 0.000000 |
| 18 | C | 6 | -0.714632 | 4.880960 | 0.000000 |
| 19 | H | 1 | 2.490178 | -1.233984 | 0.000000 |
| 20 | H | 1 | 2.490178 | 1.233984 | 0.000000 |
| 21 | H | 1 | -2.490178 | -1.233984 | 0.000000 |
| 22 | H | 1 | -2.490178 | 1.233984 | 0.000000 |
| 23 | H | 1 | 2.492194 | -3.705837 | 0.000000 |
| 24 | H | 1 | 2.492194 | 3.705837 | 0.000000 |
| 25 | H | 1 | -2.492194 | -3.705837 | 0.000000 |
| 26 | H | 1 | -2.492194 | 3.705837 | 0.000000 |
| 27 | H | 1 | 1.244922 | -5.826625 | 0.000000 |
| 28 | H | 1 | 1.244922 | 5.826625 | 0.000000 |
| 29 | H | 1 | -1.244922 | -5.826625 | 0.000000 |
| 30 | H | 1 | -1.244922 | 5.826625 | 0.000000 |
| Determined point group | D2h |
|---|---|
| Subgroups
(Number of different orientations) |
Cs (3) , Ci , C2 (3) , D2 , C2v (3) , C2h (3) |
 3N representation |
|||||||||
|---|---|---|---|---|---|---|---|---|---|
| group | E | C2 (z) | C2 (y) | C2 (x) | i |  (xy) |
(xz) |
(yz) |
- |
| D2h | 90 | 0 | 0 | -2 | 0 | 30 | 2 | 0 | Submit |
| Cs | 90 | - | - | - | - | 30 | - | - | Submit |
| Cs | 90 | - | - | - | - | - | 2 | - | Submit |
| Cs | 90 | - | - | - | - | - | - | 0 | Submit |
| Ci | 90 | - | - | - | 0 | - | - | - | Submit |
| C2 | 90 | 0 | - | - | - | - | - | - | Submit |
| C2 | 90 | - | 0 | - | - | - | - | - | Submit |
| C2 | 90 | - | - | -2 | - | - | - | - | Submit |
| D2 | 90 | 0 | 0 | -2 | - | - | - | - | Submit |
| C2v | 90 | 0 | - | - | - | - | 2 | 0 | Submit |
| C2v | 90 | - | 0 | - | - | 30 | - | 0 | Submit |
| C2v | 90 | - | - | -2 | - | 30 | 2 | - | Submit |
| C2h | 90 | 0 | - | - | 0 | 30 | - | - | Submit |
| C2h | 90 | - | 0 | - | 0 | - | 2 | - | Submit |
| C2h | 90 | - | - | -2 | 0 | - | - | 0 | Submit |
