Determine point group





Number of atoms 11
Sum formula TiP10
Molecular weight 357.69









Rotational Analysis
Rotational Constant A (GHz) 0.4745
Rotational Constant B (GHz) 0.3262
Rotational Constant C (GHz) 0.3262
Ray's asymmetry parameter -1.0000
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 Ti 22 0.000000 0.000000 0.000000
2 P 15 1.854400 0.000000 1.811700
3 P 15 0.573041 -1.763639 1.811700
4 P 15 -1.500241 -1.089989 1.811700
5 P 15 -1.500241 1.089989 1.811700
6 P 15 0.573041 1.763639 1.811700
7 P 15 1.854400 0.000000 -1.811700
8 P 15 0.573041 1.763639 -1.811700
9 P 15 -1.500241 1.089989 -1.811700
10 P 15 -1.500241 -1.089989 -1.811700
11 P 15 0.573041 -1.763639 -1.811700









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 33 1.6180 -0.6180 -1 1 -0.3820 -2.6180 3 Submit
Cs 33 - - - 1 - - - Submit
Cs 33 - - - - - - 3 Submit
C2 33 - - -1 - - - - Submit
C5 33 1.6180 -0.6180 - - - - - Submit
D5 33 1.6180 -0.6180 -1 - - - - Submit
C2v 33 - - -1 1 - - 3 Submit
C5v 33 1.6180 -0.6180 - - - - 3 Submit
C5h 33 1.6180 -0.6180 - 1 -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