Determine point group





Number of atoms 15
Sum formula C6 H6 O3
Molecular weight 126.03









Rotational Analysis
Rotational Constant A (GHz) 1.8277
Rotational Constant B (GHz) 1.8277
Rotational Constant C (GHz) 0.9139
Ray's asymmetry parameter 1.0000
Classification : Symmetric top (oblate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 1.386600 0.000000 0.000000
2 C 6 -0.693300 -1.200831 0.000000
3 C 6 -0.693300 1.200831 0.000000
4 C 6 0.703631 -1.213339 0.000000
5 C 6 -1.402597 -0.002693 0.000000
6 C 6 0.698967 1.216031 0.000000
7 O 8 2.749709 0.065869 0.000000
8 O 8 -1.317811 -2.414253 0.000000
9 O 8 -1.431899 2.348384 0.000000
10 H 1 3.107639 -0.827819 0.000000
11 H 1 -2.270732 -2.277385 0.000000
12 H 1 -0.836907 3.105204 0.000000
13 H 1 1.225487 -2.163455 0.000000
14 H 1 -2.486351 0.020425 0.000000
15 H 1 1.260864 2.143031 0.000000









Determined point group C3h
Subgroups Cs , C3



3N representation
group E C3(z) (C3)2 h S3 (S3)5 -
C3h 45 0 0 15 0 0 Submit
Cs 45 - - 15 - - Submit
C3 45 0 0 - - - Submit









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

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement