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 1.199084 -0.179204 1.678001
3 C 6 0.200104 -1.195774 1.678001
4 C 6 -1.075413 -0.559825 1.678001
5 C 6 -0.864746 0.849784 1.678001
6 C 6 0.540971 1.085020 1.678001
7 H 1 2.266563 -0.338740 1.654054
8 H 1 0.378246 -2.260306 1.654054
9 H 1 -2.032795 -1.058206 1.654054
10 H 1 -1.634582 1.606299 1.654054
11 H 1 1.022568 2.050953 1.654054
12 C 6 1.199084 0.179204 -1.678001
13 C 6 0.200104 1.195774 -1.678001
14 C 6 -1.075413 0.559825 -1.678001
15 C 6 -0.864746 -0.849784 -1.678001
16 C 6 0.540971 -1.085020 -1.678001
17 H 1 2.266563 0.338740 -1.654054
18 H 1 0.378246 2.260306 -1.654054
19 H 1 -2.032795 1.058206 -1.654054
20 H 1 -1.634582 -1.606299 -1.654054
21 H 1 1.022568 -2.050953 -1.654054









Determined point group D5
Subgroups C2 , C5



3N representation
group E 2C5 (z) 2(C5)2 5C'2 -
D5 63 1.6180 -0.6180 -1 Submit
C2 63 - - -1 Submit
C5 63 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