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	6	6.0470
6	C	12	12.0000	98.9000	6	72.0000

Total					12	78.0470
Isotopomer Natural Abundance (%)					93.4913

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
12	0	0	0	4	0	0	0	0	12	0	4

**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
2	0	0	0	0	2	0	0	2	0	2	0

Representation Γ_3N

**Characters of reducible representation**
E	2C₆	2C₃	C₂	3C'₂	3C''₂	i	2S₃	2S₆	σ_h	3σ_d	3σ_v
36	0	0	0	-4	0	0	0	0	12	0	4

**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
2	2	0	2	2	4	0	2	2	2	4	2

Molecular motions and force field analysis

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