Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.98442020.1565
6C1212.000098.900020240.0000
Total40 260.1565
Isotopomer Natural Abundance (%)79.9044


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
40 0 0 0 0 12 8 4

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
8 5 4 3 2 5 6 7



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
120 0 0 0 0 12 8 4

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
18 15 14 13 12 15 16 17

Molecular motions and force field analysis



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