Determine point group





Number of atoms 14
Sum formula B7 Br7
Molecular weight 629.49









Rotational Analysis
Rotational Constant A (GHz) 0.1283
Rotational Constant B (GHz) 0.1283
Rotational Constant C (GHz) 0.1087
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 1.392500 0.000000 0.000000
2 B 5 0.000000 0.000000 1.166100
3 B 5 0.000000 0.000000 -1.166100
4 B 5 0.430306 1.324346 0.000000
5 B 5 -1.126556 0.818491 0.000000
6 B 5 -1.126556 -0.818491 0.000000
7 B 5 0.430306 -1.324346 0.000000
8 Br 35 0.000000 0.000000 3.168700
9 Br 35 0.000000 0.000000 -3.168700
10 Br 35 3.392900 0.000000 0.000000
11 Br 35 1.048464 3.226840 0.000000
12 Br 35 -2.744914 1.994297 0.000000
13 Br 35 -2.744914 -1.994297 0.000000
14 Br 35 1.048464 -3.226840 0.000000









Determined point group D5h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C5 , D5 , C2v , C5v , C5h



3N representation
group E 2C5 2(C5)2 5C'2 h 2S5 2(S5)3 5v -
D5h 42 6.4721 -2.4721 -2 10 -0.0000 -0.0000 6 Submit
Cs 42 - - - 10 - - - Submit
Cs 42 - - - - - - 6 Submit
C2 42 - - -2 - - - - Submit
C5 42 6.4721 -2.4721 - - - - - Submit
D5 42 6.4721 -2.4721 -2 - - - - Submit
C2v 42 - - -2 10 - - 6 Submit
C5v 42 6.4721 -2.4721 - - - - 6 Submit
C5h 42 6.4721 -2.4721 - 10 -0.0000 -0.0000 - 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