Determine point group





Number of atoms 16
Sum formula C8 O8
Molecular weight 223.96








Rotational Analysis
Rotational Constant A (GHz) 1.2662
Rotational Constant B (GHz) 0.3678
Rotational Constant C (GHz) 0.2850
Ray's asymmetry parameter -0.8312
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 0.000000 -3.310700 0.000000
2 C 6 -1.535900 0.000000 0.000000
3 C 6 1.535900 0.000000 0.000000
4 C 6 0.000000 3.310700 0.000000
5 O 8 0.000000 -4.487100 0.000000
6 O 8 0.000000 4.487100 0.000000
7 O 8 -2.741700 0.000000 0.000000
8 O 8 2.741700 0.000000 0.000000
9 C 6 -0.672149 1.205497 0.000000
10 C 6 -0.672149 -1.205497 0.000000
11 C 6 0.672149 1.205497 0.000000
12 C 6 0.672149 -1.205497 0.000000
13 O 8 -1.120840 2.491361 0.000000
14 O 8 -1.120840 -2.491361 0.000000
15 O 8 1.120840 2.491361 0.000000
16 O 8 1.120840 -2.491361 0.000000









Determined point group D2h
Subgroups
(Number of different orientations)		 Cs (3) , Ci , C2 (3) , D2 , C2v (3) , C2h (3)



3N representation
group E C2 (z) C2 (y) C2 (x) i (xy) (xz) (yz) -
D2h 48 0 -4 -4 0 16 4 4 Submit
Cs 48 - - - - 16 - - Submit
Cs 48 - - - - - 4 - Submit
Cs 48 - - - - - - 4 Submit
Ci 48 - - - 0 - - - Submit
C2 48 0 - - - - - - Submit
C2 48 - -4 - - - - - Submit
C2 48 - - -4 - - - - Submit
D2 48 0 -4 -4 - - - - Submit
C2v 48 0 - - - - 4 4 Submit
C2v 48 - -4 - - 16 - 4 Submit
C2v 48 - - -4 - 16 4 - Submit
C2h 48 0 - - 0 16 - - Submit
C2h 48 - -4 - 0 - 4 - Submit
C2h 48 - - -4 0 - - 4 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