Determine point group





Number of atoms 48
Sum formula C24 H24
Molecular weight 312.19









Rotational Analysis
Rotational Constant A (GHz) 0.4034
Rotational Constant B (GHz) 0.4034
Rotational Constant C (GHz) 0.2896
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 C 6 1.411800 0.000000 -1.331400
2 C 6 0.705900 -1.222655 -1.331400
3 C 6 -0.705900 -1.222655 -1.331400
4 C 6 -1.411800 0.000000 -1.331400
5 C 6 -0.705900 1.222655 -1.331400
6 C 6 0.705900 1.222655 -1.331400
7 C 6 2.839448 0.000000 -0.802702
8 C 6 1.419724 -2.459034 -0.802702
9 C 6 -1.419724 -2.459034 -0.802702
10 C 6 -2.839448 0.000000 -0.802702
11 C 6 -1.419724 2.459034 -0.802702
12 C 6 1.419724 2.459034 -0.802702
13 C 6 1.411800 0.000000 1.331400
14 C 6 0.705900 -1.222655 1.331400
15 C 6 -0.705900 -1.222655 1.331400
16 C 6 -1.411800 0.000000 1.331400
17 C 6 -0.705900 1.222655 1.331400
18 C 6 0.705900 1.222655 1.331400
19 C 6 2.839448 0.000000 0.802702
20 C 6 1.419724 -2.459034 0.802702
21 C 6 -1.419724 -2.459034 0.802702
22 C 6 -2.839448 0.000000 0.802702
23 C 6 -1.419724 2.459034 0.802702
24 C 6 1.419724 2.459034 0.802702
25 H 1 3.394072 0.866368 -1.157022
26 H 1 3.394072 -0.866368 -1.157022
27 H 1 2.447333 -2.506168 -1.157022
28 H 1 0.946739 -3.372537 -1.157022
29 H 1 -0.946739 -3.372537 -1.157022
30 H 1 -2.447333 -2.506168 -1.157022
31 H 1 -3.394072 -0.866368 -1.157022
32 H 1 -3.394072 0.866368 -1.157022
33 H 1 -2.447333 2.506168 -1.157022
34 H 1 -0.946739 3.372537 -1.157022
35 H 1 0.946739 3.372537 -1.157022
36 H 1 2.447333 2.506168 -1.157022
37 H 1 3.394072 0.866368 1.157022
38 H 1 3.394072 -0.866368 1.157022
39 H 1 2.447333 -2.506168 1.157022
40 H 1 0.946739 -3.372537 1.157022
41 H 1 -0.946739 -3.372537 1.157022
42 H 1 -2.447333 -2.506168 1.157022
43 H 1 -3.394072 -0.866368 1.157022
44 H 1 -3.394072 0.866368 1.157022
45 H 1 -2.447333 2.506168 1.157022
46 H 1 -0.946739 3.372537 1.157022
47 H 1 0.946739 3.372537 1.157022
48 H 1 2.447333 2.506168 1.157022









Determined point group D6h
Subgroups
(Number of different orientations)
Cs (3) , Ci , C2 (3) , C3 , C6 , D2 , D3 (2) , D6 , C2v (3) , C3v (2) , C6v , C2h (3) , C3h , C6h , D2h , D3h (2) , D3d (2) , S6



3N representation
group E 2C6 (z) 2C3 C2 3C'2 3C''2 i 2S3 2S6 h (xy) 3d 3v -
D6h 144 0 0 0 0 0 0 0 0 0 0 8 Submit
Cs 144 - - - - - - - - 0 - - Submit
Cs 144 - - - - - - - - - 0 - Submit
Cs 144 - - - - - - - - - - 8 Submit
Ci 144 - - - - - 0 - - - - - Submit
C2 144 - - 0 - - - - - - - - Submit
C2 144 - - - 0 - - - - - - - Submit
C2 144 - - - - 0 - - - - - - Submit
C3 144 - 0 - - - - - - - - - Submit
C6 144 0 0 0 - - - - - - - - Submit
D2 144 - - 0 0 0 - - - - - - Submit
D3 144 - 0 - 0 - - - - - - - Submit
D3 144 - 0 - - 0 - - - - - - Submit
D6 144 0 0 0 0 0 - - - - - - Submit
C2v 144 - - 0 - - - - - - 0 8 Submit
C2v 144 - - - 0 - - - - 0 - 8 Submit
C2v 144 - - - - 0 - - - 0 0 - Submit
C3v 144 - 0 - - - - - - - 0 - Submit
C3v 144 - 0 - - - - - - - - 8 Submit
C6v 144 0 0 0 - - - - - - 0 8 Submit
C2h 144 - - 0 - - 0 - - 0 - - Submit
C2h 144 - - - 0 - 0 - - - 0 - Submit
C2h 144 - - - - 0 0 - - - - 8 Submit
C3h 144 - 0 - - - - 0 - 0 - - Submit
C6h 144 0 0 0 - - 0 0 0 0 - - Submit
D2h 144 - - 0 0 0 0 - - 0 0 8 Submit
D3h 144 - 0 - 0 - - 0 - 0 - 8 Submit
D3h 144 - 0 - - 0 - 0 - 0 0 - Submit
D3d 144 - 0 - 0 - 0 - 0 - 0 - Submit
D3d 144 - 0 - - 0 0 - 0 - - 8 Submit
S6 144 - 0 - - - 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