Determine point group





Number of atoms 16
Sum formula C8 H8
Molecular weight 104.06









Rotational Analysis
Rotational Constant A (GHz) 2.5372
Rotational Constant B (GHz) 2.5372
Rotational Constant C (GHz) 1.2686
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 1.849100 0.000000 0.000000
2 C 6 1.307511 -1.307511 0.000000
3 C 6 0.000000 -1.849100 0.000000
4 C 6 -1.307511 -1.307511 0.000000
5 C 6 -1.849100 0.000000 0.000000
6 C 6 -1.307511 1.307511 0.000000
7 C 6 0.000000 1.849100 0.000000
8 C 6 1.307511 1.307511 0.000000
9 H 1 2.949500 0.000000 0.000000
10 H 1 2.085611 -2.085611 0.000000
11 H 1 0.000000 -2.949500 0.000000
12 H 1 -2.085611 -2.085611 0.000000
13 H 1 -2.949500 0.000000 0.000000
14 H 1 -2.085611 2.085611 0.000000
15 H 1 0.000000 2.949500 0.000000
16 H 1 2.085611 2.085611 0.000000









Determined point group D8h
Subgroups
(Number of different orientations)
Cs (3) , Ci , C2 (3) , C4 , C8 , D2 (2) , D4 (2) , D8 , C2v (4) , C4v (2) , C8v , C2h (3) , C4h , C8h , D2h (2) , D4h (2) , D2d (2) , D4d (2) , S4 , S8



3N representation
group E 2C8 2(C8)3 2C4 C2 (z) 4C2' 4C2'' i 2(S8)3 2S8 2S4 h 4v 4d -
D8h 48 0.0000 -0.0000 0 0 -4 0 0 -0.0000 0.0000 0 16 4 0 Submit
Cs 48 - - - - - - - - - - 16 - - Submit
Cs 48 - - - - - - - - - - - 4 - Submit
Cs 48 - - - - - - - - - - - - 0 Submit
Ci 48 - - - - - - 0 - - - - - - Submit
C2 48 - - - 0 - - - - - - - - - Submit
C2 48 - - - - -4 - - - - - - - - Submit
C2 48 - - - - - 0 - - - - - - - Submit
C4 48 - - 0 0 - - - - - - - - - Submit
C8 48 0.0000 -0.0000 0 0 - - - - - - - - - Submit
D2 48 - - - 0 -4 - - - - - - - - Submit
D2 48 - - - 0 - 0 - - - - - - - Submit
D4 48 - - 0 0 -4 - - - - - - - - Submit
D4 48 - - 0 0 - 0 - - - - - - - Submit
D8 48 0.0000 -0.0000 0 0 -4 0 - - - - - - - Submit
C2v 48 - - - 0 - - - - - - - 4 - Submit
C2v 48 - - - 0 - - - - - - - - 0 Submit
C2v 48 - - - - -4 - - - - - 16 4 - Submit
C2v 48 - - - - - 0 - - - - 16 - 0 Submit
C4v 48 - - 0 0 - - - - - - - 4 - Submit
C4v 48 - - 0 0 - - - - - - - - 0 Submit
C8v 48 0.0000 -0.0000 0 0 - - - - - - - 4 0 Submit
C2h 48 - - - 0 - - 0 - - - 16 - - Submit
C2h 48 - - - - -4 - 0 - - - - 4 - Submit
C2h 48 - - - - - 0 0 - - - - - 0 Submit
C4h 48 - - 0 0 - - 0 - - 0 16 - - Submit
C8h - - - - - - - - - - - - - - Submit
D2h 48 - - - 0 -4 - 0 - - - 16 4 - Submit
D2h 48 - - - 0 - 0 0 - - - 16 - 0 Submit
D4h 48 - - 0 0 -4 - 0 - - 0 16 4 - Submit
D4h 48 - - 0 0 - 0 0 - - 0 16 - 0 Submit
D2d 48 - - - 0 -4 - - - - 0 - 4 - Submit
D2d 48 - - - 0 - 0 - - - 0 - - 0 Submit
D4d 48 - - 0 0 -4 - - -0.0000 0.0000 - - - 0 Submit
D4d 48 - - 0 0 - 0 - -0.0000 0.0000 - - 4 - Submit
S4 48 - - - 0 - - - - - 0 - - - Submit
S8 48 - - 0 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