Determine point group





Number of atoms 12
Sum formula C3 H6 O3
Molecular weight 90.03









Rotational Analysis
Rotational Constant A (GHz) 5.2561
Rotational Constant B (GHz) 5.2561
Rotational Constant C (GHz) 2.9172
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 1.333000 0.000000 0.212933
2 C 6 -0.666500 1.154412 0.212933
3 C 6 -0.666500 -1.154412 0.212933
4 O 8 0.673500 -1.166536 -0.228567
5 O 8 -1.347000 0.000000 -0.228567
6 O 8 0.673500 1.166536 -0.228567
7 H 1 1.387672 0.000000 1.316179
8 H 1 -0.693836 1.201759 1.316179
9 H 1 -0.693836 -1.201759 1.316179
10 H 1 2.328325 0.000000 -0.223984
11 H 1 -1.164163 2.016389 -0.223984
12 H 1 -1.164163 -2.016389 -0.223984









Determined point group C3v
Subgroups Cs , C3



3N representation
group E 2C3 (z) 3v -
C3v 36 0 4 Submit
Cs 36 - 4 Submit
C3 36 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