Determine point group





Number of atoms 28
Sum formula C28
Molecular weight 336.00









Rotational Analysis
Rotational Constant A (GHz) 0.3845
Rotational Constant B (GHz) 0.3845
Rotational Constant C (GHz) 0.3845
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 1.450419 1.450419 1.450419
2 C 6 1.450419 -1.450419 -1.450419
3 C 6 -1.450419 1.450419 -1.450419
4 C 6 -1.450419 -1.450419 1.450419
5 C 6 2.262257 -0.530244 0.530244
6 C 6 2.262257 0.530244 -0.530244
7 C 6 -2.262257 -0.530244 -0.530244
8 C 6 -2.262257 0.530244 0.530244
9 C 6 0.530244 -2.262257 0.530244
10 C 6 -0.530244 -2.262257 -0.530244
11 C 6 0.530244 2.262257 -0.530244
12 C 6 -0.530244 2.262257 0.530244
13 C 6 -0.530244 0.530244 2.262257
14 C 6 0.530244 -0.530244 2.262257
15 C 6 -0.530244 -0.530244 -2.262257
16 C 6 0.530244 0.530244 -2.262257
17 C 6 0.047779 1.718297 1.718297
18 C 6 1.718297 0.047779 1.718297
19 C 6 1.718297 1.718297 0.047779
20 C 6 0.047779 -1.718297 -1.718297
21 C 6 1.718297 -0.047779 -1.718297
22 C 6 1.718297 -1.718297 -0.047779
23 C 6 -0.047779 1.718297 -1.718297
24 C 6 -1.718297 0.047779 -1.718297
25 C 6 -1.718297 1.718297 -0.047779
26 C 6 -0.047779 -1.718297 1.718297
27 C 6 -1.718297 -0.047779 1.718297
28 C 6 -1.718297 -1.718297 0.047779









Determined point group Td
Subgroups Cs , C2 , C3 , D2 , C2v , C3v , D2d , S4 , T



3N representation
group E 8C3 3C2 6S4 6d -
Td 84 0 0 0 6 Submit
Cs 84 - - - 6 Submit
C2 84 - 0 - - Submit
C3 84 0 - - - Submit
D2 84 - 0 - - Submit
C2v 84 - 0 - 6 Submit
C3v 84 0 - - 6 Submit
D2d 84 - 0 0 6 Submit
S4 84 - 0 0 - Submit
T 84 0 0 - - Submit









Determine point group from cartesian coordinates Character tables for chemically important point groups Determine point group from internal coordinates

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement