Determine point group





Number of atoms 8
Sum formula C2 H6
Molecular weight 30.05









Rotational Analysis
Rotational Constant A (GHz) 80.5699
Rotational Constant B (GHz) 19.9108
Rotational Constant C (GHz) 19.9108
Ray's asymmetry parameter -1.0000
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 0.000000 0.000000 -0.765350
2 C 6 0.000000 0.000000 0.765350
3 H 1 0.882044 0.509248 -1.163629
4 H 1 -0.882044 0.509248 -1.163629
5 H 1 0.000000 -1.018496 -1.163629
6 H 1 0.882044 -0.509248 1.163629
7 H 1 -0.882044 -0.509248 1.163629
8 H 1 0.000000 1.018496 1.163629









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



3N representation
group E 2C3 3C'2 i 2S6 3d -
D3d 24 0 0 0 0 4 Submit
Cs 24 - - - - 4 Submit
Ci 24 - - 0 - - Submit
C2 24 - 0 - - - Submit
C3 24 0 - - - - Submit
D3 24 0 0 - - - Submit
C3v 24 0 - - - 4 Submit
C2h 24 - 0 0 - 4 Submit
S6 24 0 - 0 0 - Submit









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