Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.98441212.0939
6C1212.000098.900018216.0000
Total30 228.0939
Isotopomer Natural Abundance (%)81.7938


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
30 0 0 2 0 30 2 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
8 7 0 0 0 0 7 8



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
90 0 0 -2 0 30 2 0

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
15 15 8 7 7 8 15 15

Molecular motions and force field analysis



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