Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.98441010.0783
6C1212.000098.900016192.0000
Total26 202.0783
Isotopomer Natural Abundance (%)83.6495


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
26 0 0 6 0 26 6 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
8 5 0 0 0 0 5 8



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
78 0 0 -6 0 26 6 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
13 13 8 5 5 8 13 13

Molecular motions and force field analysis



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