Determine point group





Number of atoms 12
Sum formula H6 B6
Molecular weight 72.10









Rotational Analysis
Rotational Constant A (GHz) 6.0079
Rotational Constant B (GHz) 6.0079
Rotational Constant C (GHz) 6.0079
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 B 5 0.000000 0.000000 1.195000
2 B 5 0.000000 1.195000 0.000000
3 B 5 0.000000 0.000000 -1.195000
4 B 5 0.000000 -1.195000 0.000000
5 B 5 1.195000 0.000000 0.000000
6 B 5 -1.195000 0.000000 0.000000
7 H 1 0.000000 0.000000 2.295000
8 H 1 0.000000 2.295000 0.000000
9 H 1 0.000000 0.000000 -2.295000
10 H 1 0.000000 -2.295000 0.000000
11 H 1 2.295000 0.000000 0.000000
12 H 1 -2.295000 0.000000 0.000000









Determined point group Oh
Subgroups
(Number of different orientations)
Cs (2) , Ci , C2 (2) , C3 , C4 , D2 (2) , D3 , D4 , C2v (3) , C3v , C4v , C2h (2) , C4h , D2h (2) , D4h , D2d (2) , D3d , S4 , S6 , T , Th , Td , O



3N representation
group E 8C3 6C2 6C4 3C2 =(C4)2 i 6S4 8S6 3h 6d -
Oh 36 0 0 4 -4 0 0 0 8 4 Submit
Cs 36 - - - - - - - 8 - Submit
Cs 36 - - - - - - - - 4 Submit
Ci 36 - - - - 0 - - - - Submit
C2 36 - 0 - - - - - - - Submit
C2 36 - - - -4 - - - - - Submit
C3 36 0 - - - - - - - - Submit
C4 36 - - 4 -4 - - - - - Submit
D2 36 - - - -4 - - - - - Submit
D2 36 - 0 - -4 - - - - - Submit
D3 36 0 0 - - - - - - - Submit
D4 36 - 0 4 -4 - - - - - Submit
C2v 36 - - - -4 - - - 8 - Submit
C2v 36 - - - -4 - - - - 4 Submit
C2v 36 - 0 - - - - - 8 4 Submit
C3v 36 0 - - - - - - - 4 Submit
C4v 36 - - 4 -4 - - - 8 4 Submit
C2h 36 - - - -4 0 - - 8 - Submit
C2h 36 - 0 - - 0 - - - 4 Submit
C4h 36 - - 4 -4 0 0 - 8 - Submit
D2h 36 - - - -4 0 - - 8 - Submit
D2h 36 - 0 - -4 0 - - 8 4 Submit
D4h 36 - 0 4 -4 0 0 - 8 4 Submit
D2d 36 - - - -4 - 0 - - 4 Submit
D2d 36 - 0 - -4 - 0 - 8 - Submit
D3d 36 0 0 - - 0 - 0 - 4 Submit
S4 36 - - - -4 - 0 - - - Submit
S6 36 0 - - - 0 - 0 - - Submit
T 36 0 - - -4 - - - - - Submit
Th 36 0 - - -4 0 - 0 8 - Submit
Td 36 0 - - -4 - 0 - - 4 Submit
O 36 0 0 4 -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