Determine point group





Number of atoms 11
Sum formula C5 FeO5
Molecular weight 195.91









Rotational Analysis
Rotational Constant A (GHz) 0.9165
Rotational Constant B (GHz) 0.7983
Rotational Constant C (GHz) 0.7983
Ray's asymmetry parameter -1.0000
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 Fe 26 0.000000 0.000000 0.000000
2 C 6 1.842000 0.000000 0.000000
3 C 6 0.000000 0.000000 1.810000
4 C 6 -0.921000 -1.595219 0.000000
5 C 6 -0.921000 1.595219 0.000000
6 C 6 0.000000 0.000000 -1.810000
7 O 8 2.991000 0.000000 0.000000
8 O 8 -1.495500 -2.590282 0.000000
9 O 8 -1.495500 2.590282 0.000000
10 O 8 0.000000 0.000000 2.952000
11 O 8 0.000000 0.000000 -2.952000









Determined point group D3h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C3 , D3 , C2v , C3v , C3h



3N representation
group E 2C3 (z) 3C'2 h (xy) 2S3 3v -
D3h 33 0 -3 7 -2 7 Submit
Cs 33 - - 7 - - Submit
Cs 33 - - - - 7 Submit
C2 33 - -3 - - - Submit
C3 33 0 - - - - Submit
D3 33 0 -3 - - - Submit
C2v 33 - -3 7 - 7 Submit
C3v 33 0 - - - 7 Submit
C3h 33 0 - 7 -2 - 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