Determine point group





Number of atoms 52
Sum formula C8 Si8 H24 O12
Molecular weight 535.94









Rotational Analysis
Rotational Constant A (GHz) 0.1322
Rotational Constant B (GHz) 0.1322
Rotational Constant C (GHz) 0.1322
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 Si 14 1.589676 1.589676 1.589676
2 Si 14 -1.589676 -1.589676 1.589676
3 Si 14 -1.589676 1.589676 -1.589676
4 Si 14 1.589676 -1.589676 -1.589676
5 Si 14 -1.589676 1.589676 1.589676
6 Si 14 1.589676 -1.589676 1.589676
7 Si 14 1.589676 1.589676 -1.589676
8 Si 14 -1.589676 -1.589676 -1.589676
9 O 8 1.892925 0.000000 1.892925
10 O 8 0.000000 1.892925 1.892925
11 O 8 -1.892925 0.000000 1.892925
12 O 8 0.000000 -1.892925 1.892925
13 O 8 0.000000 1.892925 -1.892925
14 O 8 -1.892925 0.000000 -1.892925
15 O 8 0.000000 -1.892925 -1.892925
16 O 8 1.892925 0.000000 -1.892925
17 O 8 -1.892925 1.892925 0.000000
18 O 8 -1.892925 -1.892925 0.000000
19 O 8 1.892925 -1.892925 0.000000
20 O 8 1.892925 1.892925 0.000000
21 C 6 2.657312 2.657312 2.657312
22 C 6 -2.657312 -2.657312 2.657312
23 C 6 -2.657312 2.657312 -2.657312
24 C 6 2.657312 -2.657312 -2.657312
25 C 6 -2.657312 2.657312 2.657312
26 C 6 2.657312 -2.657312 2.657312
27 C 6 2.657312 2.657312 -2.657312
28 C 6 -2.657312 -2.657312 -2.657312
29 H 1 3.714769 2.462941 2.462941
30 H 1 2.462941 3.714769 2.462941
31 H 1 2.462941 2.462941 3.714769
32 H 1 -3.714769 -2.462941 2.462941
33 H 1 -2.462941 -3.714769 2.462941
34 H 1 -2.462941 -2.462941 3.714769
35 H 1 -3.714769 2.462941 -2.462941
36 H 1 -2.462941 3.714769 -2.462941
37 H 1 -2.462941 2.462941 -3.714769
38 H 1 3.714769 -2.462941 -2.462941
39 H 1 2.462941 -3.714769 -2.462941
40 H 1 2.462941 -2.462941 -3.714769
41 H 1 -2.462941 2.462941 3.714769
42 H 1 -2.462941 3.714769 2.462941
43 H 1 -3.714769 2.462941 2.462941
44 H 1 2.462941 -2.462941 3.714769
45 H 1 2.462941 -3.714769 2.462941
46 H 1 3.714769 -2.462941 2.462941
47 H 1 2.462941 2.462941 -3.714769
48 H 1 2.462941 3.714769 -2.462941
49 H 1 3.714769 2.462941 -2.462941
50 H 1 -2.462941 -2.462941 -3.714769
51 H 1 -2.462941 -3.714769 -2.462941
52 H 1 -3.714769 -2.462941 -2.462941









Determined point group Oh
Subgroups
(Number of different orientations)
Cs (2) , Ci , C2 (2) , C3 , C4 , D2 (2) , D3 , D4 , C2v (3) , C3v , C4v , C2h (2) , C4h , D2h (2) , D4h , D2d (2) , D3d , S4 , S6 , T , Th , Td , O



3N representation
group E 8C3 6C2 6C4 3C2 =(C4)2 i 6S4 8S6 3h 6d -
Oh 156 0 -2 0 0 0 0 0 4 14 Submit
Cs 156 - - - - - - - 4 - Submit
Cs 156 - - - - - - - - 14 Submit
Ci 156 - - - - 0 - - - - Submit
C2 156 - -2 - - - - - - - Submit
C2 156 - - - 0 - - - - - Submit
C3 156 0 - - - - - - - - Submit
C4 156 - - 0 0 - - - - - Submit
D2 156 - - - 0 - - - - - Submit
D2 156 - -2 - 0 - - - - - Submit
D3 156 0 -2 - - - - - - - Submit
D4 156 - -2 0 0 - - - - - Submit
C2v 156 - - - 0 - - - 4 - Submit
C2v 156 - - - 0 - - - - 14 Submit
C2v 156 - -2 - - - - - 4 14 Submit
C3v 156 0 - - - - - - - 14 Submit
C4v 156 - - 0 0 - - - 4 14 Submit
C2h 156 - - - 0 0 - - 4 - Submit
C2h 156 - -2 - - 0 - - - 14 Submit
C4h 156 - - 0 0 0 0 - 4 - Submit
D2h 156 - - - 0 0 - - 4 - Submit
D2h 156 - -2 - 0 0 - - 4 14 Submit
D4h 156 - -2 0 0 0 0 - 4 14 Submit
D2d 156 - - - 0 - 0 - - 14 Submit
D2d 156 - -2 - 0 - 0 - 4 - Submit
D3d 156 0 -2 - - 0 - 0 - 14 Submit
S4 156 - - - 0 - 0 - - - Submit
S6 156 0 - - - 0 - 0 - - Submit
T 156 0 - - 0 - - - - - Submit
Th 156 0 - - 0 0 - 0 4 - Submit
Td 156 0 - - 0 - 0 - - 14 Submit
O 156 0 -2 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