Determine point group
| Number of atoms | 33 |
| Sum formula | C16 UH16 |
| Molecular weight | 446.18 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 0.6540 |
| Rotational Constant B (GHz) | 0.4850 |
| Rotational Constant C (GHz) | 0.4850 |
| Ray's asymmetry parameter | -1.0000 |
| Classification : Symmetric top (prolate) | |
| Symmetry adapted cartesian coordinates | |||||
|---|---|---|---|---|---|
| Atom Number | Atomic Symbol | Atomic Number | x-Coordinate (Angstrom) | y-Coordinate (Angstrom) | z-Coordinate (Angstrom) |
| 1 | U | 92 | 0.000000 | 0.000000 | 0.000000 |
| 2 | C | 6 | 1.784048 | 0.354869 | 1.775000 |
| 3 | C | 6 | 1.010582 | 1.512443 | 1.775000 |
| 4 | C | 6 | -0.354869 | 1.784048 | 1.775000 |
| 5 | C | 6 | -1.512443 | 1.010582 | 1.775000 |
| 6 | C | 6 | -1.784048 | -0.354869 | 1.775000 |
| 7 | C | 6 | -1.010582 | -1.512443 | 1.775000 |
| 8 | C | 6 | 0.354869 | -1.784048 | 1.775000 |
| 9 | C | 6 | 1.512443 | -1.010582 | 1.775000 |
| 10 | H | 1 | 2.863305 | 0.569547 | 1.775000 |
| 11 | H | 1 | 1.621932 | 2.427392 | 1.775000 |
| 12 | H | 1 | -0.569547 | 2.863305 | 1.775000 |
| 13 | H | 1 | -2.427392 | 1.621932 | 1.775000 |
| 14 | H | 1 | -2.863305 | -0.569547 | 1.775000 |
| 15 | H | 1 | -1.621932 | -2.427392 | 1.775000 |
| 16 | H | 1 | 0.569547 | -2.863305 | 1.775000 |
| 17 | H | 1 | 2.427392 | -1.621932 | 1.775000 |
| 18 | C | 6 | 1.784048 | -0.354869 | -1.775000 |
| 19 | C | 6 | 1.010582 | -1.512443 | -1.775000 |
| 20 | C | 6 | -0.354869 | -1.784048 | -1.775000 |
| 21 | C | 6 | -1.512443 | -1.010582 | -1.775000 |
| 22 | C | 6 | -1.784048 | 0.354869 | -1.775000 |
| 23 | C | 6 | -1.010582 | 1.512443 | -1.775000 |
| 24 | C | 6 | 0.354869 | 1.784048 | -1.775000 |
| 25 | C | 6 | 1.512443 | 1.010582 | -1.775000 |
| 26 | H | 1 | 2.863305 | -0.569547 | -1.775000 |
| 27 | H | 1 | 1.621932 | -2.427392 | -1.775000 |
| 28 | H | 1 | -0.569547 | -2.863305 | -1.775000 |
| 29 | H | 1 | -2.427392 | -1.621932 | -1.775000 |
| 30 | H | 1 | -2.863305 | 0.569547 | -1.775000 |
| 31 | H | 1 | -1.621932 | 2.427392 | -1.775000 |
| 32 | H | 1 | 0.569547 | 2.863305 | -1.775000 |
| 33 | H | 1 | 2.427392 | 1.621932 | -1.775000 |
| Determined point group | D8d |
|---|---|
| Subgroups
(Number of different orientations) |
Cs , C2 (2) , C4 , C8 , D2 , D4 , D8 , C2v , C4v , C8v , S16 |
 3N representation |
||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| group | E | 2S16 | 2C8 | 2(S16)3 | 2C4 | 2(S16)5 | 2(C8)3 | 2(S16)7 | C2 | 8C'2 | 8 d |
- |
| D8d | 99 | 0.8478 | 2.4142 | -0.2346 | 1 | -1.7654 | -0.4142 | -2.8478 | -1 | -1 | 5 | Submit |
| Cs | 99 | - | - | - | - | - | - | - | - | - | 5 | Submit |
| C2 | 99 | - | - | - | - | - | - | - | -1 | - | - | Submit |
| C2 | 99 | - | - | - | - | - | - | - | - | -1 | - | Submit |
| C4 | 99 | - | - | - | 1 | - | - | - | -1 | - | - | Submit |
| C8 | 99 | - | 2.4142 | - | 1 | - | -0.4142 | - | -1 | - | - | Submit |
| D2 | 99 | - | - | - | - | - | - | - | -1 | -1 | - | Submit |
| D4 | 99 | - | - | - | 1 | - | - | - | -1 | -1 | - | Submit |
| D8 | 99 | - | 2.4142 | - | 1 | - | -0.4142 | - | -1 | -1 | - | Submit |
| C2v | 99 | - | - | - | - | - | - | - | -1 | - | 5 | Submit |
| C4v | 99 | - | - | - | 1 | - | - | - | -1 | - | 5 | Submit |
| C8v | 99 | - | 2.4142 | - | 1 | - | -0.4142 | - | -1 | - | 5 | Submit |
| S16 | - | - | - | - | - | - | - | - | - | - | - | Submit |
