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	8	96.0000
8	O	16	15.9949	99.7620	8	127.9593

Total					16	223.9593
Isotopomer Natural Abundance (%)					89.8031

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)
16	0	4	4	0	16	4	4

**Direct sum of irreducible representation**
A_1g	B_1g	B_2g	B_3g	A_1u	B_1u	B_2u	B_3u
6	2	0	0	0	0	4	4

Representation Γ_3N

**Characters of reducible representation**
E	C₂.(z)	C₂.(y)	C₂.(x)	i	σ.(xy)	σ.(xy)	σ.(xy)
48	0	-4	-4	0	16	4	4

**Direct sum of irreducible representation**
A_1g	B_1g	B_2g	B_3g	A_1u	B_1u	B_2u	B_3u
8	8	4	4	2	6	8	8

Molecular motions and force field analysis

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