Determine point group





Number of atoms 30
Sum formula C18 H12
Molecular weight 228.09









Rotational Analysis
Rotational Constant A (GHz) 0.5132
Rotational Constant B (GHz) 0.5132
Rotational Constant C (GHz) 0.2566
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 1.255735 -0.709275 0.000000
2 C 6 1.255735 0.709275 0.000000
3 C 6 -1.242117 -0.732861 0.000000
4 C 6 -0.013617 -1.442136 0.000000
5 C 6 -0.013617 1.442136 0.000000
6 C 6 -1.242117 0.732861 0.000000
7 C 6 2.496843 -1.381572 0.000000
8 C 6 2.496843 1.381572 0.000000
9 C 6 -2.444898 -1.471543 0.000000
10 C 6 -0.051945 -2.853115 0.000000
11 C 6 -0.051945 2.853115 0.000000
12 C 6 -2.444898 1.471543 0.000000
13 C 6 3.696634 -0.699331 0.000000
14 C 6 3.696634 0.699331 0.000000
15 C 6 -2.453955 -2.851714 0.000000
16 C 6 -1.242679 -3.551044 0.000000
17 C 6 -1.242679 3.551044 0.000000
18 C 6 -2.453955 2.851714 0.000000
19 H 1 2.524744 -2.462212 0.000000
20 H 1 2.524744 2.462212 0.000000
21 H 1 -3.394710 -0.955387 0.000000
22 H 1 0.869966 -3.417598 0.000000
23 H 1 0.869966 3.417598 0.000000
24 H 1 -3.394710 0.955387 0.000000
25 H 1 4.631647 -1.247987 0.000000
26 H 1 4.631647 1.247987 0.000000
27 H 1 -3.396612 -3.387130 0.000000
28 H 1 -1.235035 -4.635117 0.000000
29 H 1 -1.235035 4.635117 0.000000
30 H 1 -3.396612 3.387130 0.000000









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 90 0 0 30 0 0 Submit
Cs 90 - - 30 - - Submit
Cs 90 - - - - 0 Submit
C2 90 - 0 - - - Submit
C3 90 0 - - - - Submit
D3 90 0 0 - - - Submit
C2v 90 - 0 30 - 0 Submit
C3v 90 0 - - - 0 Submit
C3h 90 0 - 30 0 - Submit









Determine point group from cartesian coordinates Character tables for chemically important point groups Determine point group from internal coordinates