Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.98441010.0783
6C1212.000098.900014168.0000
Total24 178.0783
Isotopomer Natural Abundance (%)85.5206


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
24 0 0 4 0 24 4 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
7 5 0 0 0 0 5 7



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
72 0 0 -4 0 24 4 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
12 12 7 5 5 7 12 12

Molecular motions and force field analysis



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