Determine point group





Number of atoms 14
Sum formula H9 B5
Molecular weight 64.12









Rotational Analysis
Rotational Constant A (GHz) 7.0536
Rotational Constant B (GHz) 7.0536
Rotational Constant C (GHz) 4.9218
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 0.000041 -0.000041 0.938300
2 H 1 0.000079 -0.000079 2.116800
3 B 5 1.271609 0.000000 -0.181115
4 B 5 0.000011 -1.271609 -0.181115
5 B 5 -1.271658 -0.000011 -0.181086
6 B 5 0.000000 1.271658 -0.181086
7 H 1 2.443283 0.000000 -0.039510
8 H 1 0.000020 -2.443283 -0.039510
9 H 1 -2.443323 -0.000020 -0.039406
10 H 1 0.000000 2.443323 -0.039406
11 H 1 0.958364 -0.958356 -1.073965
12 H 1 -0.958402 -0.958364 -1.073903
13 H 1 -0.958411 0.958402 -1.073842
14 H 1 0.958356 0.958411 -1.073903









Determined point group C4v
Subgroups
(Number of different orientations)
Cs (2) , C2 , C4 , C2v (2)



3N representation
group E 2C4 (z) C2 2v 2d -
C4v 42 2 -2 6 4 Submit
Cs 42 - - 6 - Submit
Cs 42 - - - 4 Submit
C2 42 - -2 - - Submit
C4 42 2 -2 - - Submit
C2v 42 - -2 6 - Submit
C2v 42 - -2 - 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