Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 48 -4
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 42 -2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 22 26 48
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 20 22 42



Molecule Parameter
Number of Atoms (N) 16
Number of internal coordinates 42
Number of independant internal coordinates 20
Number of vibrational modes 42





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 20 22 42 / 0
Quadratic (Raman) 20 22 42 / 0
IR + Raman 20 22 42 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 42 -2
quadratic 2 903 23
cubic 3 13.244 -44
quartic 4 148.995 275
quintic 5 1.370.754 -506
sextic 6 10.737.573 2.277


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 20 22
quadratic 2 463 440
cubic 3 6.600 6.644
quartic 4 74.635 74.360
quintic 5 685.124 685.630
sextic 6 5.369.925 5.367.648


Literature




Character tables for chemically important point groups Character table for point group C2 Constructor University Bremen

Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement