Determine point group





Number of atoms 34
Sum formula C20 H14
Molecular weight 254.11









Rotational Analysis
Rotational Constant A (GHz) 0.4080
Rotational Constant B (GHz) 0.4080
Rotational Constant C (GHz) 0.2722
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 1.408804 0.000000 -0.701550
2 C 6 1.408804 0.000000 0.701550
3 C 6 0.000000 0.000000 -1.295783
4 C 6 0.000000 0.000000 1.295783
5 H 1 0.000000 0.000000 -2.386183
6 H 1 0.000000 0.000000 2.386183
7 C 6 -0.704402 1.220060 -0.701550
8 C 6 -0.704402 1.220060 0.701550
9 C 6 -0.704402 -1.220060 -0.701550
10 C 6 -0.704402 -1.220060 0.701550
11 C 6 2.605904 0.000000 -1.401668
12 C 6 2.605904 0.000000 1.401668
13 C 6 -1.302952 2.256779 -1.401668
14 C 6 -1.302952 2.256779 1.401668
15 C 6 -1.302952 -2.256779 -1.401668
16 C 6 -1.302952 -2.256779 1.401668
17 C 6 3.813819 0.000000 -0.695678
18 C 6 3.813819 0.000000 0.695678
19 C 6 -1.906910 3.302864 -0.695678
20 C 6 -1.906910 3.302864 0.695678
21 C 6 -1.906910 -3.302864 -0.695678
22 C 6 -1.906910 -3.302864 0.695678
23 H 1 2.607059 0.000000 -2.486767
24 H 1 2.607059 0.000000 2.486767
25 H 1 -1.303530 2.257780 -2.486767
26 H 1 -1.303530 2.257780 2.486767
27 H 1 -1.303530 -2.257780 -2.486767
28 H 1 -1.303530 -2.257780 2.486767
29 H 1 4.753322 0.000000 -1.236811
30 H 1 4.753322 0.000000 1.236811
31 H 1 -2.376661 4.116497 -1.236811
32 H 1 -2.376661 4.116497 1.236811
33 H 1 -2.376661 -4.116497 -1.236811
34 H 1 -2.376661 -4.116497 1.236811









Determined point group D3h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C3 , D3 , C2v , C3v , C3h



3N representation
group E 2C3 (z) 3C'2 h (xy) 2S3 3v -
D3h 102 0 0 0 0 14 Submit
Cs 102 - - 0 - - Submit
Cs 102 - - - - 14 Submit
C2 102 - 0 - - - Submit
C3 102 0 - - - - Submit
D3 102 0 0 - - - Submit
C2v 102 - 0 0 - 14 Submit
C3v 102 0 - - - 14 Submit
C3h 102 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