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	6	72.0000
8	O	16	15.9949	99.7620	6	95.9695

Total					12	167.9695
Isotopomer Natural Abundance (%)					92.2505

Determined Point Group: D_2h

Representation Γ_N

**Characters of reducible representation**
E	C₂.(z)	C₂.(y)	C₂.(x)	i	σ.(xy)	σ.(xy)	σ.(xy)
12	0	2	2	0	12	2	2

**Direct sum of irreducible representation**
A_1g	B_1g	B_2g	B_3g	A_1u	B_1u	B_2u	B_3u
4	2	0	0	0	0	3	3

Representation Γ_3N

**Characters of reducible representation**
E	C₂.(z)	C₂.(y)	C₂.(x)	i	σ.(xy)	σ.(xy)	σ.(xy)
36	0	-2	-2	0	12	2	2

**Direct sum of irreducible representation**
A_1g	B_1g	B_2g	B_3g	A_1u	B_1u	B_2u	B_3u
6	6	3	3	2	4	6	6

Molecular motions and force field analysis

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