Determine point group





Number of atoms 21
Sum formula C10 FeH10
Molecular weight 186.01








Rotational Analysis
Rotational Constant A (GHz) 2.2038
Rotational Constant B (GHz) 1.0526
Rotational Constant C (GHz) 1.0526
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 Fe 26 0.000000 0.000000 0.000000
2 C 6 1.153062 -0.374653 1.678001
3 C 6 0.000000 -1.212402 1.678001
4 C 6 -1.153062 -0.374653 1.678001
5 C 6 -0.712632 0.980854 1.678001
6 C 6 0.712632 0.980854 1.678001
7 H 1 2.179570 -0.708185 1.654054
8 H 1 0.000000 -2.291736 1.654054
9 H 1 -2.179570 -0.708185 1.654054
10 H 1 -1.347049 1.854053 1.654054
11 H 1 1.347049 1.854053 1.654054
12 C 6 1.153062 0.374653 -1.678001
13 C 6 0.000000 1.212402 -1.678001
14 C 6 -1.153062 0.374653 -1.678001
15 C 6 -0.712632 -0.980854 -1.678001
16 C 6 0.712632 -0.980854 -1.678001
17 H 1 2.179570 0.708185 -1.654054
18 H 1 0.000000 2.291736 -1.654054
19 H 1 -2.179570 0.708185 -1.654054
20 H 1 -1.347049 -1.854053 -1.654054
21 H 1 1.347049 -1.854053 -1.654054









Determined point group D5d
Subgroups Cs , Ci , C2 , C5 , D5 , C5v , C2h , S10



3N representation
group E 2C5 2(C5)2 5C'2 i 2(S10)3 2S10 5d -
D5d 63 1.6180 -0.6180 -1 -3 -1.6180 0.6180 5 Submit
Cs 63 - - - - - - 5 Submit
Ci 63 - - - -3 - - - Submit
C2 63 - - -1 - - - - Submit
C5 63 1.6180 -0.6180 - - - - - Submit
D5 63 1.6180 -0.6180 -1 - - - - Submit
C5v 63 1.6180 -0.6180 - - - - 5 Submit
C2h 63 - - -1 -3 - - 5 Submit
S10 63 1.6180 -0.6180 - -3 -1.6180 0.6180 - 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