Determine point group





Number of atoms 4
Sum formula Al4
Molecular weight 107.93









Rotational Analysis
Rotational Constant A (GHz) 2.7751
Rotational Constant B (GHz) 2.7751
Rotational Constant C (GHz) 1.3875
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 Al 13 1.837063 0.000000 0.000000
2 Al 13 0.000000 -1.837063 0.000000
3 Al 13 0.000000 1.837063 0.000000
4 Al 13 -1.837063 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 12 0 0 -2 0 0 0 4 2 0 Submit
Cs 12 - - - - - - 4 - - Submit
Cs 12 - - - - - - - 2 - Submit
Cs 12 - - - - - - - - 0 Submit
Ci 12 - - - - 0 - - - - Submit
C2 12 - 0 - - - - - - - Submit
C2 12 - - -2 - - - - - - Submit
C2 12 - - - 0 - - - - - Submit
C4 12 0 0 - - - - - - - Submit
D2 12 - 0 -2 - - - - - - Submit
D2 12 - 0 - 0 - - - - - Submit
D4 12 0 0 -2 0 - - - - - Submit
C2v 12 - 0 - - - - - 2 - Submit
C2v 12 - 0 - - - - - - 0 Submit
C2v 12 - - -2 - - - 4 2 - Submit
C2v 12 - - - 0 - - 4 - 0 Submit
C4v 12 0 0 - - - - - 2 0 Submit
C2h 12 - 0 - - 0 - 4 - - Submit
C2h 12 - - -2 - 0 - - 2 - Submit
C2h 12 - - - 0 0 - - - 0 Submit
C4h 12 0 0 - - 0 0 4 - - Submit
D2h 12 - 0 -2 - 0 - 4 2 - Submit
D2h 12 - 0 - 0 0 - 4 - 0 Submit
D2d 12 - 0 -2 - - 0 - - 0 Submit
D2d 12 - 0 - 0 - 0 - 2 - Submit
S4 12 - 0 - - - 0 - - - Submit









Determine point group from cartesian coordinates Character tables for chemically important point groups Determine point group from internal coordinates