Grouptheoretical Analysis

Grouptheoretical Analysis

Composition Input Structure

Atomic Number	Atomic Symbol	Isotope	Isotope Mass	Isotope Abundance	Number Atoms	Mass
1	H	1	1.0078	99.9844	10	10.0783
6	C	12	12.0000	98.9000	10	120.0000
26	Fe	56	55.9349	91.7540	1	55.9349

Total					21	186.0132
Isotopomer Natural Abundance (%)					82.0182

Determined Point Group: D_5d

Representation Γ_N

**Characters of reducible representation**
E	2C₅	2(C₅)²	5C'₂	i	2(S₁₀)³	2S₁₀	5σ_d
21	1.000	1.000	1	1	1.000	1.000	5

**Direct sum of irreducible representation**
A_1g	A_2g	E_1g	E_2g	A_1u	A_2u	E_1u	E_2u
3	0	2	2	0	2	2	2

Representation Γ_3N

**Characters of reducible representation**
E	2C₅	2(C₅)²	5C'₂	i	2(S₁₀)³	2S₁₀	5σ_d
63	1.618	-0.618	-1	-3	-1.618	0.618	5

**Direct sum of irreducible representation**
A_1g	A_2g	E_1g	E_2g	A_1u	A_2u	E_1u	E_2u
4	2	6	6	2	5	7	6

Molecular motions and force field analysis

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