Grouptheoretical Analysis

Grouptheoretical Analysis

Composition Input Structure

Atomic Number	Atomic Symbol	Isotope	Isotope Mass	Isotope Abundance	Number Atoms	Mass
6	C	12	12.0000	98.9000	5	60.0000
8	O	16	15.9949	99.7620	5	79.9746
26	Fe	56	55.9349	91.7540	1	55.9349

Total					11	195.9095
Isotopomer Natural Abundance (%)					85.7891

Determined Point Group: D_3h

Representation Γ_N

**Characters of reducible representation**
E	2C₃	3C'₂	σ_h	2S₃	3σ_v
11	5	3	7	1	7

**Direct sum of irreducible representation**
A'₁	A'₂	E'	A''₁	A''₂	E''
5	0	2	0	2	0

Representation Γ_3N

**Characters of reducible representation**
E	2C₃	3C'₂	σ_h	2S₃	3σ_v
33	0	-3	7	-2	7

**Direct sum of irreducible representation**
A'₁	A'₂	E'	A''₁	A''₂	E''
4	2	7	0	5	4

Molecular motions and force field analysis

Last update July, 8^th 2020 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement