Determine point group





Number of atoms 10
Sum formula C4 H6
Molecular weight 54.05









Rotational Analysis
Rotational Constant A (GHz) 21.5846
Rotational Constant B (GHz) 5.6906
Rotational Constant C (GHz) 4.5033
Ray's asymmetry parameter -0.8610
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 -0.737317 0.000000 -0.547678
2 C 6 0.737318 0.000000 -0.547678
3 C 6 -1.531644 0.000000 0.515194
4 C 6 1.531644 0.000000 0.515194
5 H 1 -1.192905 0.000000 -1.533516
6 H 1 1.192905 0.000000 -1.533516
7 H 1 -1.194289 0.000000 1.547029
8 H 1 1.194289 0.000000 1.547029
9 H 1 -2.608715 0.000000 0.373279
10 H 1 2.608715 0.000000 0.373279









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



3N representation
group E C2 (z) v(xz) v(yz) -
C2v 30 0 10 0 Submit
Cs 30 - 10 - Submit
Cs 30 - - 0 Submit
C2 30 0 - - Submit









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