Determine point group
| Number of atoms | 14 |
| Sum formula | B7 Br7 |
| Molecular weight | 629.49 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 0.1283 |
| Rotational Constant B (GHz) | 0.1283 |
| Rotational Constant C (GHz) | 0.1087 |
| 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 | B | 5 | 1.392500 | 0.000000 | 0.000000 |
| 2 | B | 5 | 0.000000 | 0.000000 | 1.166100 |
| 3 | B | 5 | 0.000000 | 0.000000 | -1.166100 |
| 4 | B | 5 | 0.430306 | 1.324346 | 0.000000 |
| 5 | B | 5 | -1.126556 | 0.818491 | 0.000000 |
| 6 | B | 5 | -1.126556 | -0.818491 | 0.000000 |
| 7 | B | 5 | 0.430306 | -1.324346 | 0.000000 |
| 8 | Br | 35 | 0.000000 | 0.000000 | 3.168700 |
| 9 | Br | 35 | 0.000000 | 0.000000 | -3.168700 |
| 10 | Br | 35 | 3.392900 | 0.000000 | 0.000000 |
| 11 | Br | 35 | 1.048464 | 3.226840 | 0.000000 |
| 12 | Br | 35 | -2.744914 | 1.994297 | 0.000000 |
| 13 | Br | 35 | -2.744914 | -1.994297 | 0.000000 |
| 14 | Br | 35 | 1.048464 | -3.226840 | 0.000000 |
| Determined point group | D5h |
|---|---|
| Subgroups
(Number of different orientations) |
Cs (2) , C2 , C5 , D5 , C2v , C5v , C5h |
 3N representation |
|||||||||
|---|---|---|---|---|---|---|---|---|---|
| group | E | 2C5 | 2(C5)2 | 5C'2 |  h |
2S5 | 2(S5)3 | 5v |
- |
| D5h | 42 | 6.4721 | -2.4721 | -2 | 10 | -0.0000 | -0.0000 | 6 | Submit |
| Cs | 42 | - | - | - | 10 | - | - | - | Submit |
| Cs | 42 | - | - | - | - | - | - | 6 | Submit |
| C2 | 42 | - | - | -2 | - | - | - | - | Submit |
| C5 | 42 | 6.4721 | -2.4721 | - | - | - | - | - | Submit |
| D5 | 42 | 6.4721 | -2.4721 | -2 | - | - | - | - | Submit |
| C2v | 42 | - | - | -2 | 10 | - | - | 6 | Submit |
| C5v | 42 | 6.4721 | -2.4721 | - | - | - | - | 6 | Submit |
| C5h | 42 | 6.4721 | -2.4721 | - | 10 | -0.0000 | -0.0000 | - | Submit |
