Determine point group





Number of atoms 12
Sum formula C4 H8
Molecular weight 56.06









Rotational Analysis
Rotational Constant A (GHz) 10.6650
Rotational Constant B (GHz) 10.6650
Rotational Constant C (GHz) 6.3012
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 0.767211 0.767211 0.122500
2 C 6 -0.767211 -0.767211 0.122500
3 C 6 0.767211 -0.767211 -0.122500
4 C 6 -0.767211 0.767211 -0.122500
5 H 1 1.008443 1.008443 1.161000
6 H 1 -1.008443 -1.008443 1.161000
7 H 1 1.008443 -1.008443 -1.161000
8 H 1 -1.008443 1.008443 -1.161000
9 H 1 1.386450 1.386450 -0.529675
10 H 1 -1.386450 -1.386450 -0.529675
11 H 1 1.386450 -1.386450 0.529675
12 H 1 -1.386450 1.386450 0.529675









Determined point group D2d
Subgroups
(Number of different orientations)
Cs , C2 (2) , D2 , C2v , S4



3N representation
group E 2S4 C2 (z) 2C'2 2d -
D2d 36 0 0 0 6 Submit
Cs 36 - - - 6 Submit
C2 36 - 0 - - Submit
C2 36 - - 0 - Submit
D2 36 - 0 0 - Submit
C2v 36 - 0 - 6 Submit
S4 36 0 0 - - Submit









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