Number of atoms | 12 |
Sum formula | C_{6} H_{6} |
Molecular weight | 78.05 |
Rotational Analysis | |
---|---|
Rotational Constant A (GHz) | 6.9659 |
Rotational Constant B (GHz) | 5.3830 |
Rotational Constant C (GHz) | 5.3830 |
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 | C | 6 | 0.878843 | 0.000000 | 0.779600 |
2 | C | 6 | -0.439421 | -0.761100 | 0.779600 |
3 | C | 6 | -0.439421 | 0.761100 | 0.779600 |
4 | C | 6 | 0.878843 | 0.000000 | -0.779600 |
5 | C | 6 | -0.439421 | -0.761100 | -0.779600 |
6 | C | 6 | -0.439421 | 0.761100 | -0.779600 |
7 | H | 1 | 1.673757 | 0.000000 | 1.513359 |
8 | H | 1 | -0.836878 | -1.449516 | 1.513359 |
9 | H | 1 | -0.836878 | 1.449516 | 1.513359 |
10 | H | 1 | 1.673757 | 0.000000 | -1.513359 |
11 | H | 1 | -0.836878 | -1.449516 | -1.513359 |
12 | H | 1 | -0.836878 | 1.449516 | -1.513359 |
Determined point group | D_{3h} |
---|---|
Subgroups
(Number of different orientations) |
C_{s} (2) , C_{2} , C_{3} , D_{3} , C_{2v} , C_{3v} , C_{3h} |
_{3N} representation | |||||||
---|---|---|---|---|---|---|---|
group | E | 2C_{3} (z) | 3C'_{2} | _{h} (xy) | 2S_{3} | 3_{v} | - |
D_{3h} | 36 | 0 | 0 | 0 | 0 | 4 | Submit |
C_{s} | 36 | - | - | 0 | - | - | Submit |
C_{s} | 36 | - | - | - | - | 4 | Submit |
C_{2} | 36 | - | 0 | - | - | - | Submit |
C_{3} | 36 | 0 | - | - | - | - | Submit |
D_{3} | 36 | 0 | 0 | - | - | - | Submit |
C_{2v} | 36 | - | 0 | 0 | - | 4 | Submit |
C_{3v} | 36 | 0 | - | - | - | 4 | Submit |
C_{3h} | 36 | 0 | - | 0 | 0 | - | Submit |