Determine point group





Number of atoms 8
Sum formula C4 O4
Molecular weight 111.98









Rotational Analysis
Rotational Constant A (GHz) 2.5536
Rotational Constant B (GHz) 2.5536
Rotational Constant C (GHz) 1.2768
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 1.055569 0.000000 0.000000
2 C 6 0.000000 -1.055569 0.000000
3 C 6 0.000000 1.055569 0.000000
4 C 6 -1.055569 0.000000 0.000000
5 O 8 2.313169 0.000000 0.000000
6 O 8 0.000000 -2.313169 0.000000
7 O 8 0.000000 2.313169 0.000000
8 O 8 -2.313169 0.000000 0.000000









Determined point group D4h
Subgroups
(Number of different orientations)
Cs (3) , Ci , C2 (3) , C4 , D2 (2) , D4 , C2v (4) , C4v , C2h (3) , C4h , D2h (2) , D2d (2) , S4



3N representation
group E 2C4 (z) C2 2C'2 2C''2 i 2S4 h 2v 2d -
D4h 24 0 0 -4 0 0 0 8 4 0 Submit
Cs 24 - - - - - - 8 - - Submit
Cs 24 - - - - - - - 4 - Submit
Cs 24 - - - - - - - - 0 Submit
Ci 24 - - - - 0 - - - - Submit
C2 24 - 0 - - - - - - - Submit
C2 24 - - -4 - - - - - - Submit
C2 24 - - - 0 - - - - - Submit
C4 24 0 0 - - - - - - - Submit
D2 24 - 0 -4 - - - - - - Submit
D2 24 - 0 - 0 - - - - - Submit
D4 24 0 0 -4 0 - - - - - Submit
C2v 24 - 0 - - - - - 4 - Submit
C2v 24 - 0 - - - - - - 0 Submit
C2v 24 - - -4 - - - 8 4 - Submit
C2v 24 - - - 0 - - 8 - 0 Submit
C4v 24 0 0 - - - - - 4 0 Submit
C2h 24 - 0 - - 0 - 8 - - Submit
C2h 24 - - -4 - 0 - - 4 - Submit
C2h 24 - - - 0 0 - - - 0 Submit
C4h 24 0 0 - - 0 0 8 - - Submit
D2h 24 - 0 -4 - 0 - 8 4 - Submit
D2h 24 - 0 - 0 0 - 8 - 0 Submit
D2d 24 - 0 -4 - - 0 - - 0 Submit
D2d 24 - 0 - 0 - 0 - 4 - Submit
S4 24 - 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