Determine point group
| Number of atoms | 35 |
| Sum formula | C19 H16 |
| Molecular weight | 244.12 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 0.3865 |
| Rotational Constant B (GHz) | 0.3865 |
| Rotational Constant C (GHz) | 0.2258 |
| 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 | 0.000000 | 0.000000 | 0.734704 |
| 2 | H | 1 | 0.000000 | 0.000000 | 1.830604 |
| 3 | C | 6 | 1.473555 | 0.000000 | 0.319257 |
| 4 | C | 6 | 1.943531 | -0.688370 | -0.802098 |
| 5 | C | 6 | 3.291315 | -0.634953 | -1.158369 |
| 6 | C | 6 | 4.191870 | 0.102652 | -0.395633 |
| 7 | C | 6 | 2.390481 | 0.736243 | 1.079542 |
| 8 | C | 6 | 3.735590 | 0.788782 | 0.729110 |
| 9 | H | 1 | 1.256480 | -1.279136 | -1.396359 |
| 10 | H | 1 | 3.636072 | -1.177827 | -2.031747 |
| 11 | H | 1 | 5.240104 | 0.139143 | -0.670159 |
| 12 | H | 1 | 2.042556 | 1.277538 | 1.953885 |
| 13 | H | 1 | 4.428599 | 1.361952 | 1.335207 |
| 14 | C | 6 | -0.736778 | -1.276136 | 0.319257 |
| 15 | C | 6 | -1.567911 | -1.338962 | -0.802098 |
| 16 | C | 6 | -2.195543 | -2.532886 | -1.158369 |
| 17 | C | 6 | -2.007036 | -3.681592 | -0.395633 |
| 18 | C | 6 | -0.557635 | -2.438338 | 1.079542 |
| 19 | C | 6 | -1.184689 | -3.629507 | 0.729110 |
| 20 | H | 1 | -1.736004 | -0.448576 | -1.396359 |
| 21 | H | 1 | -2.838064 | -2.560017 | -2.031747 |
| 22 | H | 1 | -2.499550 | -4.607635 | -0.670159 |
| 23 | H | 1 | 0.085102 | -2.407674 | 1.953885 |
| 24 | H | 1 | -1.034814 | -4.516256 | 1.335207 |
| 25 | C | 6 | -0.736778 | 1.276136 | 0.319257 |
| 26 | C | 6 | -0.375620 | 2.027332 | -0.802098 |
| 27 | C | 6 | -1.095772 | 3.167839 | -1.158369 |
| 28 | C | 6 | -2.184834 | 3.578940 | -0.395633 |
| 29 | C | 6 | -1.832845 | 1.702096 | 1.079542 |
| 30 | C | 6 | -2.550900 | 2.840724 | 0.729110 |
| 31 | H | 1 | 0.479524 | 1.727711 | -1.396359 |
| 32 | H | 1 | -0.798008 | 3.737845 | -2.031747 |
| 33 | H | 1 | -2.740554 | 4.468492 | -0.670159 |
| 34 | H | 1 | -2.127658 | 1.130137 | 1.953885 |
| 35 | H | 1 | -3.393785 | 3.154303 | 1.335207 |
| Determined point group | C3 |
|---|
 3N representation |
||||
|---|---|---|---|---|
| group | E | C3 | (C3)2 | - |
| C3 | 105 | 0 | 0 | Submit |
