Determine point group





Number of atoms 20
Sum formula C10 H10
Molecular weight 130.08









Rotational Analysis
Rotational Constant A (GHz) 2.2531
Rotational Constant B (GHz) 2.2531
Rotational Constant C (GHz) 1.9306
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 1.327015 0.000000 0.785800
2 C 6 0.410070 -1.262067 0.785800
3 C 6 -1.073578 -0.780000 0.785800
4 C 6 -1.073578 0.780000 0.785800
5 C 6 0.410070 1.262067 0.785800
6 C 6 1.327015 0.000000 -0.785800
7 C 6 0.410070 -1.262067 -0.785800
8 C 6 -1.073578 -0.780000 -0.785800
9 C 6 -1.073578 0.780000 -0.785800
10 C 6 0.410070 1.262067 -0.785800
11 H 1 2.237450 0.000000 1.384777
12 H 1 0.691410 -2.127941 1.384777
13 H 1 -1.810135 -1.315140 1.384777
14 H 1 -1.810135 1.315140 1.384777
15 H 1 0.691410 2.127941 1.384777
16 H 1 2.237450 0.000000 -1.384777
17 H 1 0.691410 -2.127941 -1.384777
18 H 1 -1.810135 -1.315140 -1.384777
19 H 1 -1.810135 1.315140 -1.384777
20 H 1 0.691410 2.127941 -1.384777









Determined point group D5h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C5 , D5 , C2v , C5v , C5h



3N representation
group E 2C5 2(C5)2 5C'2 h 2S5 2(S5)3 5v -
D5h 60 0.0000 -0.0000 0 0 -0.0000 -0.0000 4 Submit
Cs 60 - - - 0 - - - Submit
Cs 60 - - - - - - 4 Submit
C2 60 - - 0 - - - - Submit
C5 60 0.0000 -0.0000 - - - - - Submit
D5 60 0.0000 -0.0000 0 - - - - Submit
C2v 60 - - 0 0 - - 4 Submit
C5v 60 0.0000 -0.0000 - - - - 4 Submit
C5h 60 0.0000 -0.0000 - 0 -0.0000 -0.0000 - 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