Determine point group





Number of atoms 48
Sum formula C28 H20
Molecular weight 356.16









Rotational Analysis
Rotational Constant A (GHz) 0.2895
Rotational Constant B (GHz) 0.2117
Rotational Constant C (GHz) 0.1571
Ray's asymmetry parameter -0.1752
Classification : Asymmetric top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 -1.386750 -0.810850 0.000000
2 C 6 1.386750 -0.810850 0.000000
3 C 6 -1.386750 0.810850 0.000000
4 C 6 1.386750 0.810850 0.000000
5 H 1 -2.435017 -1.115003 0.000000
6 H 1 2.435017 -1.115003 0.000000
7 H 1 -2.435017 1.115003 0.000000
8 H 1 2.435017 1.115003 0.000000
9 C 6 -0.702014 -1.397436 1.222711
10 C 6 -0.702014 -1.397436 -1.222711
11 C 6 0.702014 -1.397436 1.222711
12 C 6 0.702014 -1.397436 -1.222711
13 C 6 -0.702014 1.397436 1.222711
14 C 6 -0.702014 1.397436 -1.222711
15 C 6 0.702014 1.397436 1.222711
16 C 6 0.702014 1.397436 -1.222711
17 C 6 -1.391703 -1.949150 2.297337
18 C 6 -1.391703 -1.949150 -2.297337
19 C 6 1.391703 -1.949150 2.297337
20 C 6 1.391703 -1.949150 -2.297337
21 C 6 -1.391703 1.949150 2.297337
22 C 6 -1.391703 1.949150 -2.297337
23 C 6 1.391703 1.949150 2.297337
24 C 6 1.391703 1.949150 -2.297337
25 C 6 -0.695491 -2.497749 3.375699
26 C 6 -0.695491 -2.497749 -3.375699
27 C 6 0.695491 -2.497749 3.375699
28 C 6 0.695491 -2.497749 -3.375699
29 C 6 -0.695491 2.497749 3.375699
30 C 6 -0.695491 2.497749 -3.375699
31 C 6 0.695491 2.497749 3.375699
32 C 6 0.695491 2.497749 -3.375699
33 H 1 -2.477173 -1.956287 2.293841
34 H 1 -2.477173 -1.956287 -2.293841
35 H 1 2.477173 -1.956287 2.293841
36 H 1 2.477173 -1.956287 -2.293841
37 H 1 -2.477173 1.956287 2.293841
38 H 1 -2.477173 1.956287 -2.293841
39 H 1 2.477173 1.956287 2.293841
40 H 1 2.477173 1.956287 -2.293841
41 H 1 -1.240296 -2.928548 4.208349
42 H 1 -1.240296 -2.928548 -4.208349
43 H 1 1.240296 -2.928548 4.208349
44 H 1 1.240296 -2.928548 -4.208349
45 H 1 -1.240296 2.928548 4.208349
46 H 1 -1.240296 2.928548 -4.208349
47 H 1 1.240296 2.928548 4.208349
48 H 1 1.240296 2.928548 -4.208349









Determined point group D2h
Subgroups
(Number of different orientations)
Cs (3) , Ci , C2 (3) , D2 , C2v (3) , C2h (3)



3N representation
group E C2 (z) C2 (y) C2 (x) i (xy) (xz) (yz) -
D2h 144 0 0 0 0 8 0 0 Submit
Cs 144 - - - - 8 - - Submit
Cs 144 - - - - - 0 - Submit
Cs 144 - - - - - - 0 Submit
Ci 144 - - - 0 - - - Submit
C2 144 0 - - - - - - Submit
C2 144 - 0 - - - - - Submit
C2 144 - - 0 - - - - Submit
D2 144 0 0 0 - - - - Submit
C2v 144 0 - - - - 0 0 Submit
C2v 144 - 0 - - 8 - 0 Submit
C2v 144 - - 0 - 8 0 - Submit
C2h 144 0 - - 0 8 - - Submit
C2h 144 - 0 - 0 - 0 - Submit
C2h 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