Determine point group





Number of atoms 28
Sum formula C12 Ir4 O12
Molecular weight 1107.79









Rotational Analysis
Rotational Constant A (GHz) 0.1104
Rotational Constant B (GHz) 0.1104
Rotational Constant C (GHz) 0.1104
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 Ir 77 0.971680 0.971680 0.971680
2 Ir 77 -0.971681 -0.971681 0.971681
3 Ir 77 -0.971681 0.971681 -0.971681
4 Ir 77 0.971681 -0.971681 -0.971681
5 C 6 2.194474 2.194474 0.110633
6 C 6 0.110633 2.194474 2.194474
7 C 6 2.194474 0.110633 2.194474
8 C 6 -2.194474 -2.194474 0.110633
9 C 6 -0.110633 -2.194474 2.194474
10 C 6 -2.194474 -0.110633 2.194474
11 C 6 -2.194474 0.110633 -2.194474
12 C 6 -2.194474 2.194474 -0.110633
13 C 6 -0.110633 2.194474 -2.194474
14 C 6 0.110633 -2.194474 -2.194474
15 C 6 2.194474 -0.110633 -2.194474
16 C 6 2.194474 -2.194474 -0.110633
17 O 8 2.915950 2.915950 -0.394472
18 O 8 -0.394472 2.915950 2.915950
19 O 8 2.915950 -0.394472 2.915950
20 O 8 -2.915950 -2.915950 -0.394472
21 O 8 0.394472 -2.915950 2.915950
22 O 8 -2.915950 0.394472 2.915950
23 O 8 -2.915950 -0.394472 -2.915950
24 O 8 -2.915950 2.915950 0.394472
25 O 8 0.394472 2.915950 -2.915950
26 O 8 -0.394472 -2.915950 -2.915950
27 O 8 2.915950 0.394472 -2.915950
28 O 8 2.915950 -2.915950 0.394472









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