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	24	24.1878
6	C	12	12.0000	98.9000	24	288.0000

Total					48	312.1878
Isotopomer Natural Abundance (%)					76.3985

Determined Point Group: D_6h

Representation Γ_N

**Characters of reducible representation**
E	2C₆	2C₃	C₂	3C'₂	3C''₂	i	2S₃	2S₆	σ_h	3σ_d	3σ_v
48	0	0	0	0	0	0	0	0	0	0	8

**Direct sum of irreducible representation**
A_1g	A_2g	B_1g	B_2g	E_1g	E_2g	A_1u	A_2u	B_1u	B_2u	E_1u	E_2u
3	1	1	3	4	4	1	3	3	1	4	4

Representation Γ_3N

**Characters of reducible representation**
E	2C₆	2C₃	C₂	3C'₂	3C''₂	i	2S₃	2S₆	σ_h	3σ_d	3σ_v
144	0	0	0	0	0	0	0	0	0	0	8

**Direct sum of irreducible representation**
A_1g	A_2g	B_1g	B_2g	E_1g	E_2g	A_1u	A_2u	B_1u	B_2u	E_1u	E_2u
7	5	5	7	12	12	5	7	7	5	12	12

Molecular motions and force field analysis

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