Determine point group





Number of atoms 7
Sum formula C3 H4
Molecular weight 40.03









Rotational Analysis
Rotational Constant A (GHz) 145.8008
Rotational Constant B (GHz) 8.9458
Rotational Constant C (GHz) 8.9458
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 0.000000
2 C 6 0.000000 0.000000 1.302400
3 H 1 0.655687 -0.655687 1.866914
4 H 1 -0.655687 0.655687 1.866914
5 C 6 0.000000 0.000000 -1.302400
6 H 1 0.655687 0.655687 -1.866914
7 H 1 -0.655687 -0.655687 -1.866914









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 21 -1 -3 -1 5 Submit
Cs 21 - - - 5 Submit
C2 21 - -3 - - Submit
C2 21 - - -1 - Submit
D2 21 - -3 -1 - Submit
C2v 21 - -3 - 5 Submit
S4 21 -1 -3 - - Submit









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