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 | 1.812078 | 0.158536 | 1.775000 |
| 3 | C | 6 | 1.169231 | 1.393435 | 1.775000 |
| 4 | C | 6 | -0.158536 | 1.812078 | 1.775000 |
| 5 | C | 6 | -1.393435 | 1.169231 | 1.775000 |
| 6 | C | 6 | -1.812078 | -0.158536 | 1.775000 |
| 7 | C | 6 | -1.169231 | -1.393435 | 1.775000 |
| 8 | C | 6 | 0.158536 | -1.812078 | 1.775000 |
| 9 | C | 6 | 1.393435 | -1.169231 | 1.775000 |
| 10 | H | 1 | 2.908291 | 0.254442 | 1.775000 |
| 11 | H | 1 | 1.876554 | 2.236390 | 1.775000 |
| 12 | H | 1 | -0.254442 | 2.908291 | 1.775000 |
| 13 | H | 1 | -2.236390 | 1.876554 | 1.775000 |
| 14 | H | 1 | -2.908291 | -0.254442 | 1.775000 |
| 15 | H | 1 | -1.876554 | -2.236390 | 1.775000 |
| 16 | H | 1 | 0.254442 | -2.908291 | 1.775000 |
| 17 | H | 1 | 2.236390 | -1.876554 | 1.775000 |
| 18 | C | 6 | 1.812078 | -0.158536 | -1.775000 |
| 19 | C | 6 | 1.169231 | -1.393435 | -1.775000 |
| 20 | C | 6 | -0.158536 | -1.812078 | -1.775000 |
| 21 | C | 6 | -1.393435 | -1.169231 | -1.775000 |
| 22 | C | 6 | -1.812078 | 0.158536 | -1.775000 |
| 23 | C | 6 | -1.169231 | 1.393435 | -1.775000 |
| 24 | C | 6 | 0.158536 | 1.812078 | -1.775000 |
| 25 | C | 6 | 1.393435 | 1.169231 | -1.775000 |
| 26 | H | 1 | 2.908291 | -0.254442 | -1.775000 |
| 27 | H | 1 | 1.876554 | -2.236390 | -1.775000 |
| 28 | H | 1 | -0.254442 | -2.908291 | -1.775000 |
| 29 | H | 1 | -2.236390 | -1.876554 | -1.775000 |
| 30 | H | 1 | -2.908291 | 0.254442 | -1.775000 |
| 31 | H | 1 | -1.876554 | 2.236390 | -1.775000 |
| 32 | H | 1 | 0.254442 | 2.908291 | -1.775000 |
| 33 | H | 1 | 2.236390 | 1.876554 | -1.775000 |
| Determined point group | D8 |
|---|---|
| Subgroups
(Number of different orientations) |
C2 (3) , C4 , C8 , D2 (2) , D4 (2) |
 3N representation |
||||||||
|---|---|---|---|---|---|---|---|---|
| group | E | 2C8 | 2C4 | 2(C8)3 | C2 | 4C'2 | 4C''2 | - |
| D8 | 99 | 2.4142 | 1 | -0.4142 | -1 | -1 | -1 | Submit |
| C2 | 99 | - | - | - | -1 | - | - | 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 |
| D2 | 99 | - | - | - | -1 | - | -1 | Submit |
| D4 | 99 | - | 1 | - | -1 | -1 | - | Submit |
| D4 | 99 | - | 1 | - | -1 | - | -1 | Submit |
