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	8	8.0626
6	C	12	12.0000	98.9000	10	120.0000

Total					18	128.0626
Isotopomer Natural Abundance (%)					89.4172

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)
18	0	0	2	0	18	2	0

**Direct sum of irreducible representation**
A_1g	B_1g	B_2g	B_3g	A_1u	B_1u	B_2u	B_3u
5	4	0	0	0	0	4	5

Representation Γ_3N

**Characters of reducible representation**
E	C₂.(z)	C₂.(y)	C₂.(x)	i	σ.(xy)	σ.(xy)	σ.(xy)
54	0	0	-2	0	18	2	0

**Direct sum of irreducible representation**
A_1g	B_1g	B_2g	B_3g	A_1u	B_1u	B_2u	B_3u
9	9	5	4	4	5	9	9

Molecular motions and force field analysis

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