Determine point group





Number of atoms 12
Sum formula H6 B3 N3
Molecular weight 81.08









Rotational Analysis
Rotational Constant A (GHz) 5.2766
Rotational Constant B (GHz) 5.2766
Rotational Constant C (GHz) 2.6383
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 B 5 1.450200 0.000000 0.000000
2 B 5 -0.725100 -1.255910 0.000000
3 B 5 -0.725100 1.255910 0.000000
4 H 1 2.642700 0.000000 0.000000
5 H 1 -1.321350 -2.288645 0.000000
6 H 1 -1.321350 2.288645 0.000000
7 N 7 0.704150 -1.219624 0.000000
8 N 7 -1.408300 0.000000 0.000000
9 N 7 0.704150 1.219624 0.000000
10 H 1 1.208450 -2.093097 0.000000
11 H 1 -2.416900 0.000000 0.000000
12 H 1 1.208450 2.093097 0.000000









Determined point group D3h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C3 , D3 , C2v , C3v , C3h



3N representation
group E 2C3 (z) 3C'2 h (xy) 2S3 3v -
D3h 36 0 -4 12 0 4 Submit
Cs 36 - - 12 - - Submit
Cs 36 - - - - 4 Submit
C2 36 - -4 - - - Submit
C3 36 0 - - - - Submit
D3 36 0 -4 - - - Submit
C2v 36 - -4 12 - 4 Submit
C3v 36 0 - - - 4 Submit
C3h 36 0 - 12 0 - 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