Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.984444.0313
6C1212.000098.9000224.0000
Total6 28.0313
Isotopomer Natural Abundance (%)97.7511


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
6 0 0 2 0 6 2 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
2 1 0 0 0 0 1 2



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
18 0 0 -2 0 6 2 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
3 3 2 1 1 2 3 3

Molecular motions and force field analysis



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