Determine point group





Number of atoms 10
Sum formula C4 H6
Molecular weight 54.05









Rotational Analysis
Rotational Constant A (GHz) 42.4731
Rotational Constant B (GHz) 4.4257
Rotational Constant C (GHz) 4.0081
Ray's asymmetry parameter -0.9783
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 0.610726 -0.396515 0.000000
2 C 6 -0.610726 0.396515 0.000000
3 C 6 1.844526 0.118392 0.000000
4 C 6 -1.844526 -0.118392 0.000000
5 H 1 0.483150 -1.477264 0.000000
6 H 1 -0.483150 1.477264 0.000000
7 H 1 2.010854 1.191113 0.000000
8 H 1 -2.010854 -1.191113 0.000000
9 H 1 2.724811 -0.513136 0.000000
10 H 1 -2.724811 0.513136 0.000000









Determined point group C2h
Subgroups Cs , Ci , C2



3N representation
group E C2 (z) i h -
C2h 30 0 0 10 Submit
Cs 30 0 - - Submit
Ci 30 - 0 - Submit
C2 30 - - 10 Submit









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