Determine point group





Number of atoms 6
Sum formula C2 H4
Molecular weight 28.03









Rotational Analysis
Rotational Constant A (GHz) 147.3115
Rotational Constant B (GHz) 30.2434
Rotational Constant C (GHz) 25.0920
Ray's asymmetry parameter -0.9157
Classification : Asymmetric top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 -0.663500 0.000000 0.000000
2 C 6 0.663500 0.000000 0.000000
3 H 1 -1.234632 -0.922515 0.000000
4 H 1 -1.234632 0.922515 0.000000
5 H 1 1.234632 -0.922515 0.000000
6 H 1 1.234632 0.922515 0.000000









Determined point group D2h
Subgroups
(Number of different orientations)
Cs (3) , Ci , C2 (3) , D2 , C2v (3) , C2h (3)



3N representation
group E C2 (z) C2 (y) C2 (x) i (xy) (xz) (yz) -
D2h 18 0 0 -2 0 6 2 0 Submit
Cs 18 - - - - 6 - - Submit
Cs 18 - - - - - 2 - Submit
Cs 18 - - - - - - 0 Submit
Ci 18 - - - 0 - - - Submit
C2 18 0 - - - - - - Submit
C2 18 - 0 - - - - - Submit
C2 18 - - -2 - - - - Submit
D2 18 0 0 -2 - - - - Submit
C2v 18 0 - - - - 2 0 Submit
C2v 18 - 0 - - 6 - 0 Submit
C2v 18 - - -2 - 6 2 - Submit
C2h 18 0 - - 0 6 - - Submit
C2h 18 - 0 - 0 - 2 - Submit
C2h 18 - - -2 0 - - 0 Submit









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