Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.98441212.0939
6C1212.000098.900012144.0000
24Cr5251.940583.7890151.9405
Total25 208.0344
Isotopomer Natural Abundance (%)73.2368


Determined Point Group: D6h








Representation ΓN


Characters of reducible representation
E 2C6 2C3 C2 3C'2 3C''2 i 2S3 2S6 σh d v
25 1 1 1 1 1 1 1 1 1 1 9

Direct sum of irreducible representation
A1g A2g B1g B2g E1g E2g A1u A2u B1u B2u E1u E2u
3 0 0 2 2 2 0 2 2 0 2 2



Representation Γ3N


Characters of reducible representation
E 2C6 2C3 C2 3C'2 3C''2 i 2S3 2S6 σh d v
75 2 0 -1 -1 -1 -3 -2 0 1 1 9

Direct sum of irreducible representation
A1g A2g B1g B2g E1g E2g A1u A2u B1u B2u E1u E2u
4 2 2 4 6 6 2 5 4 2 7 6

Molecular motions and force field analysis



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