Determine point group





Number of atoms 9
Sum formula C4 NiO4
Molecular weight 169.91









Rotational Analysis
Rotational Constant A (GHz) 1.0385
Rotational Constant B (GHz) 1.0385
Rotational Constant C (GHz) 1.0385
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 Ni 28 0.000000 0.000000 0.000000
2 C 6 1.061170 1.061170 1.061170
3 C 6 -1.061170 -1.061170 1.061170
4 C 6 -1.061170 1.061170 -1.061170
5 C 6 1.061170 -1.061170 -1.061170
6 O 8 1.719926 1.719926 1.719926
7 O 8 -1.719926 -1.719926 1.719926
8 O 8 -1.719926 1.719926 -1.719926
9 O 8 1.719926 -1.719926 -1.719926









Determined point group Td
Subgroups Cs , C2 , C3 , D2 , C2v , C3v , D2d , S4 , T



3N representation
group E 8C3 3C2 6S4 6d -
Td 27 0 -1 -1 5 Submit
Cs 27 - - - 5 Submit
C2 27 - -1 - - Submit
C3 27 0 - - - Submit
D2 27 - -1 - - Submit
C2v 27 - -1 - 5 Submit
C3v 27 0 - - 5 Submit
D2d 27 - -1 -1 5 Submit
S4 27 - -1 -1 - Submit
T 27 0 -1 - - 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