Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.984477.0548
6C1212.000098.9000784.0000
Total14 91.0548
Isotopomer Natural Abundance (%)92.4485


Determined Point Group: D7h








Representation ΓN


Characters of reducible representation
E 2C7 2(C7)2 2(C7)3 7C'2 σh 2S7 2(S7)5 2(S7)3 v
14 0.000 0.000 0.000 2 14 0.000 0.000 0.000 2

Direct sum of irreducible representation
A'1 A'2 E'1 E'2 E'3 A''1 A''2 E''1 E''2 E''3
2 0 2 2 2 0 0 0 0 0



Representation Γ3N


Characters of reducible representation
E 2C7 2(C7)2 2(C7)3 7C'2 σh 2S7 2(S7)5 2(S7)3 v
42 0.000 0.000 -0.000 -2 14 0.000 -0.000 -0.000 2

Direct sum of irreducible representation
A'1 A'2 E'1 E'2 E'3 A''1 A''2 E''1 E''2 E''3
2 2 4 4 4 0 2 2 2 2

Molecular motions and force field analysis



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