Determine point group
| Number of atoms | 30 |
| Sum formula | C12 H18 |
| Molecular weight | 162.14 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 1.0230 |
| Rotational Constant B (GHz) | 1.0230 |
| Rotational Constant C (GHz) | 0.5214 |
| 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 | 1.218498 | 0.703500 | 0.000000 |
| 2 | C | 6 | 1.218498 | -0.703500 | 0.000000 |
| 3 | C | 6 | 0.000000 | -1.407000 | 0.000000 |
| 4 | C | 6 | -1.218498 | -0.703500 | 0.000000 |
| 5 | C | 6 | -1.218498 | 0.703500 | 0.000000 |
| 6 | C | 6 | 0.000000 | 1.407000 | 0.000000 |
| 7 | C | 6 | 2.533384 | 1.462650 | 0.000000 |
| 8 | C | 6 | 2.533384 | -1.462650 | 0.000000 |
| 9 | C | 6 | 0.000000 | -2.925300 | 0.000000 |
| 10 | C | 6 | -2.533384 | -1.462650 | 0.000000 |
| 11 | C | 6 | -2.533384 | 1.462650 | 0.000000 |
| 12 | C | 6 | 0.000000 | 2.925300 | 0.000000 |
| 13 | H | 1 | 2.884572 | 1.665409 | 1.019512 |
| 14 | H | 1 | 0.000000 | -3.330817 | 1.019512 |
| 15 | H | 1 | -2.884572 | 1.665409 | 1.019512 |
| 16 | H | 1 | 2.884572 | -1.665409 | -1.019512 |
| 17 | H | 1 | -2.884572 | -1.665409 | -1.019512 |
| 18 | H | 1 | 0.000000 | 3.330817 | -1.019512 |
| 19 | H | 1 | 2.448917 | 2.421956 | -0.509517 |
| 20 | H | 1 | 3.321934 | 0.909846 | -0.509517 |
| 21 | H | 1 | 0.873017 | -3.331803 | -0.509517 |
| 22 | H | 1 | -0.873017 | -3.331803 | -0.509517 |
| 23 | H | 1 | -3.321934 | 0.909846 | -0.509517 |
| 24 | H | 1 | -2.448917 | 2.421956 | -0.509517 |
| 25 | H | 1 | 2.448917 | -2.421956 | 0.509517 |
| 26 | H | 1 | 3.321934 | -0.909846 | 0.509517 |
| 27 | H | 1 | -3.321934 | -0.909846 | 0.509517 |
| 28 | H | 1 | -2.448917 | -2.421956 | 0.509517 |
| 29 | H | 1 | 0.873017 | 3.331803 | 0.509517 |
| 30 | H | 1 | -0.873017 | 3.331803 | 0.509517 |
| Determined point group | D3d |
|---|---|
| Subgroups | Cs , Ci , C2 , C3 , D3 , C3v , C2h , S6 |
 3N representation |
|||||||
|---|---|---|---|---|---|---|---|
| group | E | 2C3 | 3C'2 | i | 2S6 | 3 d |
- |
| D3d | 90 | 0 | 0 | 0 | 0 | 6 | Submit |
| Cs | 90 | - | - | - | - | 6 | Submit |
| Ci | 90 | - | - | 0 | - | - | Submit |
| C2 | 90 | - | 0 | - | - | - | Submit |
| C3 | 90 | 0 | - | - | - | - | Submit |
| D3 | 90 | 0 | 0 | - | - | - | Submit |
| C3v | 90 | 0 | - | - | - | 6 | Submit |
| C2h | 90 | - | 0 | 0 | - | 6 | Submit |
| S6 | 90 | 0 | - | 0 | 0 | - | Submit |
