Determine point group





Number of atoms 16
Sum formula C8 H8
Molecular weight 104.06









Rotational Analysis
Rotational Constant A (GHz) 3.3536
Rotational Constant B (GHz) 3.3536
Rotational Constant C (GHz) 3.3536
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 0.785450 0.785450 0.785450
2 C 6 -0.785450 0.785450 0.785450
3 C 6 0.785450 -0.785450 0.785450
4 C 6 -0.785450 -0.785450 0.785450
5 C 6 0.785450 0.785450 -0.785450
6 C 6 -0.785450 0.785450 -0.785450
7 C 6 0.785450 -0.785450 -0.785450
8 C 6 -0.785450 -0.785450 -0.785450
9 H 1 1.414184 1.414184 1.414184
10 H 1 -1.414184 1.414184 1.414184
11 H 1 1.414184 -1.414184 1.414184
12 H 1 -1.414184 -1.414184 1.414184
13 H 1 1.414184 1.414184 -1.414184
14 H 1 -1.414184 1.414184 -1.414184
15 H 1 1.414184 -1.414184 -1.414184
16 H 1 -1.414184 -1.414184 -1.414184









Determined point group Oh
Subgroups
(Number of different orientations)
Cs (2) , Ci , C2 (2) , C3 , C4 , D2 (2) , D3 , D4 , C2v (3) , C3v , C4v , C2h (2) , C4h , D2h (2) , D4h , D2d (2) , D3d , S4 , S6 , T , Th , Td , O



3N representation
group E 8C3 6C2 6C4 3C2 =(C4)2 i 6S4 8S6 3h 6d -
Oh 48 0 0 0 0 0 0 0 0 8 Submit
Cs 48 - - - - - - - 0 - Submit
Cs 48 - - - - - - - - 8 Submit
Ci 48 - - - - 0 - - - - Submit
C2 48 - 0 - - - - - - - Submit
C2 48 - - - 0 - - - - - Submit
C3 48 0 - - - - - - - - Submit
C4 48 - - 0 0 - - - - - Submit
D2 48 - - - 0 - - - - - Submit
D2 48 - 0 - 0 - - - - - Submit
D3 48 0 0 - - - - - - - Submit
D4 48 - 0 0 0 - - - - - Submit
C2v 48 - - - 0 - - - 0 - Submit
C2v 48 - - - 0 - - - - 8 Submit
C2v 48 - 0 - - - - - 0 8 Submit
C3v 48 0 - - - - - - - 8 Submit
C4v 48 - - 0 0 - - - 0 8 Submit
C2h 48 - - - 0 0 - - 0 - Submit
C2h 48 - 0 - - 0 - - - 8 Submit
C4h 48 - - 0 0 0 0 - 0 - Submit
D2h 48 - - - 0 0 - - 0 - Submit
D2h 48 - 0 - 0 0 - - 0 8 Submit
D4h 48 - 0 0 0 0 0 - 0 8 Submit
D2d 48 - - - 0 - 0 - - 8 Submit
D2d 48 - 0 - 0 - 0 - 0 - Submit
D3d 48 0 0 - - 0 - 0 - 8 Submit
S4 48 - - - 0 - 0 - - - Submit
S6 48 0 - - - 0 - 0 - - Submit
T 48 0 - - 0 - - - - - Submit
Th 48 0 - - 0 0 - 0 0 - Submit
Td 48 0 - - 0 - 0 - - 8 Submit
O 48 0 0 0 0 - - - - - Submit









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