Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
6C1212.000098.9000896.0000
8O1615.994999.76208127.9593
Total16 223.9593
Isotopomer Natural Abundance (%)89.8031


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
16 0 4 4 0 16 4 4

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
6 2 0 0 0 0 4 4



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
48 0 -4 -4 0 16 4 4

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

Molecular motions and force field analysis



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