Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
6C1212.000098.9000672.0000
8O1615.994999.7620695.9695
Total12 167.9695
Isotopomer Natural Abundance (%)92.2505


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
12 0 2 2 0 12 2 2

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
4 2 0 0 0 0 3 3



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
36 0 -2 -2 0 12 2 2

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

Molecular motions and force field analysis



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