Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.98442020.1565
6C1212.000098.900028336.0000
Total48 356.1565
Isotopomer Natural Abundance (%)73.1377


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
48 0 0 0 0 8 0 0

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



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
144 0 0 0 0 8 0 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
19 19 17 17 17 17 19 19

Molecular motions and force field analysis



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