Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
6C1212.000098.9000448.0000
8O1615.994999.7620463.9797
Total8 111.9797
Isotopomer Natural Abundance (%)94.7645


Determined Point Group: D4h








Representation ΓN


Characters of reducible representation
E 2C4 C2 2C'2 2C''2 i 2S4 σh v d
8 0 0 4 0 0 0 8 4 0

Direct sum of irreducible representation
A1g A2g B1g B2g Eg A1u A2u B1u B2u Eu
2 0 2 0 0 0 0 0 0 2



Representation Γ3N


Characters of reducible representation
E 2C4 C2 2C'2 2C''2 i 2S4 σh v d
24 0 0 -4 0 0 0 8 4 0

Direct sum of irreducible representation
A1g A2g B1g B2g Eg A1u A2u B1u B2u Eu
2 2 2 2 2 0 2 0 2 4

Molecular motions and force field analysis



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