Determine point group





Number of atoms 8
Sum formula IF7
Molecular weight 259.89









Rotational Analysis
Rotational Constant A (GHz) 1.7667
Rotational Constant B (GHz) 1.7667
Rotational Constant C (GHz) 1.5378
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 I 53 0.000000 0.000000 0.000000
2 F 9 1.860000 0.000000 0.000000
3 F 9 0.000000 0.000000 1.790000
4 F 9 0.000000 0.000000 -1.790000
5 F 9 0.574772 1.768965 0.000000
6 F 9 -1.504772 1.093281 0.000000
7 F 9 -1.504772 -1.093281 0.000000
8 F 9 0.574772 -1.768965 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 24 4.8541 -1.8541 -2 6 -0.3820 -2.6180 4 Submit
Cs 24 - - - 6 - - - Submit
Cs 24 - - - - - - 4 Submit
C2 24 - - -2 - - - - Submit
C5 24 4.8541 -1.8541 - - - - - Submit
D5 24 4.8541 -1.8541 -2 - - - - Submit
C2v 24 - - -2 6 - - 4 Submit
C5v 24 4.8541 -1.8541 - - - - 4 Submit
C5h 24 4.8541 -1.8541 - 6 -0.3820 -2.6180 - 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