Determine point group





Number of atoms 30
Sum formula C12 H18
Molecular weight 162.14









Rotational Analysis
Rotational Constant A (GHz) 1.0230
Rotational Constant B (GHz) 1.0230
Rotational Constant C (GHz) 0.5214
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 1.218498 0.703500 0.000000
2 C 6 1.218498 -0.703500 0.000000
3 C 6 0.000000 -1.407000 0.000000
4 C 6 -1.218498 -0.703500 0.000000
5 C 6 -1.218498 0.703500 0.000000
6 C 6 0.000000 1.407000 0.000000
7 C 6 2.533384 1.462650 0.000000
8 C 6 2.533384 -1.462650 0.000000
9 C 6 0.000000 -2.925300 0.000000
10 C 6 -2.533384 -1.462650 0.000000
11 C 6 -2.533384 1.462650 0.000000
12 C 6 0.000000 2.925300 0.000000
13 H 1 2.884572 1.665409 1.019512
14 H 1 0.000000 -3.330817 1.019512
15 H 1 -2.884572 1.665409 1.019512
16 H 1 2.884572 -1.665409 -1.019512
17 H 1 -2.884572 -1.665409 -1.019512
18 H 1 0.000000 3.330817 -1.019512
19 H 1 2.448917 2.421956 -0.509517
20 H 1 3.321934 0.909846 -0.509517
21 H 1 0.873017 -3.331803 -0.509517
22 H 1 -0.873017 -3.331803 -0.509517
23 H 1 -3.321934 0.909846 -0.509517
24 H 1 -2.448917 2.421956 -0.509517
25 H 1 2.448917 -2.421956 0.509517
26 H 1 3.321934 -0.909846 0.509517
27 H 1 -3.321934 -0.909846 0.509517
28 H 1 -2.448917 -2.421956 0.509517
29 H 1 0.873017 3.331803 0.509517
30 H 1 -0.873017 3.331803 0.509517









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



3N representation
group E 2C3 3C'2 i 2S6 3d -
D3d 90 0 0 0 0 6 Submit
Cs 90 - - - - 6 Submit
Ci 90 - - 0 - - Submit
C2 90 - 0 - - - Submit
C3 90 0 - - - - Submit
D3 90 0 0 - - - Submit
C3v 90 0 - - - 6 Submit
C2h 90 - 0 0 - 6 Submit
S6 90 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