Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.984488.0626
6C1212.000098.900010120.0000
Total18 128.0626
Isotopomer Natural Abundance (%)89.4172


Determined Point Group: D2h








Representation ΓN


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
A1g B1g B2g B3g A1u B1u B2u B3u
5 4 0 0 0 0 4 5



Representation Γ3N


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
A1g B1g B2g B3g A1u B1u B2u B3u
9 9 5 4 4 5 9 9

Molecular motions and force field analysis



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