Determine point group





Number of atoms 22
Sum formula C6 H12 N4
Molecular weight 140.11








Rotational Analysis
Rotational Constant A (GHz) 1.8628
Rotational Constant B (GHz) 1.8628
Rotational Constant C (GHz) 1.8628
Classification : Spherical 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 0.000000 1.687700
2 C 6 0.000000 1.687700 0.000000
3 C 6 0.000000 0.000000 -1.687700
4 C 6 0.000000 -1.687700 0.000000
5 C 6 1.687700 0.000000 0.000000
6 C 6 -1.687700 0.000000 0.000000
7 N 7 0.868681 0.868681 -0.868681
8 N 7 0.868681 -0.868681 0.868681
9 N 7 -0.868681 -0.868681 -0.868681
10 N 7 -0.868681 0.868681 0.868681
11 H 1 2.328688 0.626449 0.626449
12 H 1 2.328688 -0.626449 -0.626449
13 H 1 -2.328688 -0.626449 0.626449
14 H 1 -2.328688 0.626449 -0.626449
15 H 1 0.626449 0.626449 2.328688
16 H 1 -0.626449 -0.626449 2.328688
17 H 1 0.626449 -0.626449 -2.328688
18 H 1 -0.626449 0.626449 -2.328688
19 H 1 -0.626449 2.328688 -0.626449
20 H 1 0.626449 2.328688 0.626449
21 H 1 -0.626449 -2.328688 0.626449
22 H 1 0.626449 -2.328688 -0.626449









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



3N representation
group E 8C3 3C2 6S4 6d -
Td 66 0 -2 0 6 Submit
Cs 66 - - - 6 Submit
C2 66 - -2 - - Submit
C3 66 0 - - - Submit
D2 66 - -2 - - Submit
C2v 66 - -2 - 6 Submit
C3v 66 0 - - 6 Submit
D2d 66 - -2 0 6 Submit
S4 66 - -2 0 - Submit
T 66 0 -2 - - 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