Determine point group





Number of atoms 8
Sum formula C2 H2 O4
Molecular weight 90.00









Rotational Analysis
Rotational Constant A (GHz) 5.7974
Rotational Constant B (GHz) 3.8331
Rotational Constant C (GHz) 2.3075
Ray's asymmetry parameter -0.1257
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 0.764495 0.113608 0.000000
2 C 6 -0.764495 -0.113608 0.000000
3 O 8 1.229968 1.222690 0.000000
4 O 8 -1.229968 -1.222690 0.000000
5 O 8 1.458959 -1.014231 0.000000
6 O 8 -1.458959 1.014231 0.000000
7 H 1 0.812550 -1.744416 0.000000
8 H 1 -0.812550 1.744416 0.000000









Determined point group C2h
Subgroups Cs , Ci , C2



3N representation
group E C2 (z) i h -
C2h 24 0 0 8 Submit
Cs 24 0 - - Submit
Ci 24 - 0 - Submit
C2 24 - - 8 Submit









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