Determine point group





Number of atoms 18
Sum formula C6 H12
Molecular weight 84.09









Rotational Analysis
Rotational Constant A (GHz) 4.2873
Rotational Constant B (GHz) 4.2873
Rotational Constant C (GHz) 2.4441
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 1.270075 0.733278 0.228350
2 C 6 -1.270075 0.733278 0.228350
3 C 6 0.000000 -1.466556 0.228350
4 C 6 1.270075 -0.733278 -0.228350
5 C 6 -1.270075 -0.733278 -0.228350
6 C 6 0.000000 1.466556 -0.228350
7 H 1 1.331449 0.768712 1.324076
8 H 1 -1.331449 0.768712 1.324076
9 H 1 0.000000 -1.537425 1.324076
10 H 1 1.331449 -0.768712 -1.324076
11 H 1 -1.331449 -0.768712 -1.324076
12 H 1 0.000000 1.537425 -1.324076
13 H 1 2.160326 1.247265 -0.148910
14 H 1 -2.160326 1.247265 -0.148910
15 H 1 0.000000 -2.494530 -0.148910
16 H 1 2.160326 -1.247265 0.148910
17 H 1 -2.160326 -1.247265 0.148910
18 H 1 0.000000 2.494530 0.148910









Determined point group D3d
Subgroups Cs , Ci , C2 , C3 , D3 , C3v , C2h , S6



3N representation
group E 2C3 3C'2 i 2S6 3d -
D3d 54 0 0 0 0 6 Submit
Cs 54 - - - - 6 Submit
Ci 54 - - 0 - - Submit
C2 54 - 0 - - - Submit
C3 54 0 - - - - Submit
D3 54 0 0 - - - Submit
C3v 54 0 - - - 6 Submit
C2h 54 - 0 0 - 6 Submit
S6 54 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