Determine point group





Number of atoms 19
Sum formula MgH12 O6
Molecular weight 132.05









Rotational Analysis
Rotational Constant A (GHz) 1.4723
Rotational Constant B (GHz) 1.4723
Rotational Constant C (GHz) 1.4723
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 Mg 12 0.000000 0.000000 0.000000
2 O 8 0.000000 0.000000 2.090000
3 O 8 0.000000 2.090000 0.000000
4 O 8 0.000000 0.000000 -2.090000
5 O 8 0.000000 -2.090000 0.000000
6 O 8 2.090000 0.000000 0.000000
7 O 8 -2.090000 0.000000 0.000000
8 H 1 0.000000 0.793353 2.698761
9 H 1 0.000000 -0.793353 2.698761
10 H 1 0.000000 0.793353 -2.698761
11 H 1 0.000000 -0.793353 -2.698761
12 H 1 0.793353 2.698761 0.000000
13 H 1 -0.793353 2.698761 0.000000
14 H 1 -0.793353 -2.698761 0.000000
15 H 1 0.793353 -2.698761 0.000000
16 H 1 2.698761 0.000000 0.793353
17 H 1 2.698761 0.000000 -0.793353
18 H 1 -2.698761 0.000000 0.793353
19 H 1 -2.698761 0.000000 -0.793353









Determined point group Th
Subgroups Cs , Ci , C2 , C3 , D2 , C2v , C2h , D2h , S6 , T



3N representation
group E 4C3 4(C3)2 3C2 i 4(S6)5 4S6 3h -
Th 57 0 0 -3 -3 0 0 9 Submit
Cs 57 - - - - - - 9 Submit
Ci 57 - - - -3 - - - Submit
C2 57 - - -3 - - - - Submit
C3 57 0 0 - - - - - Submit
D2 57 - - -3 - - - - Submit
C2v 57 - - -3 - - - 9 Submit
C2h 57 - - -3 -3 - - 9 Submit
D2h 57 - - -3 -3 - - 9 Submit
S6 57 0 0 - -3 0 0 - Submit
T 57 0 0 -3 - - - - Submit









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