Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 102 0
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 96 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 51 51 102
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 49 47 96



Molecule Parameter
Number of Atoms (N) 34
Number of internal coordinates 96
Number of independant internal coordinates 49
Number of vibrational modes 96





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 49 47 96 / 0
Quadratic (Raman) 49 47 96 / 0
IR + Raman 49 47 96 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 96 2
quadratic 2 4.656 50
cubic 3 152.096 98
quartic 4 3.764.376 1.274
quintic 5 75.287.520 2.450
sextic 6 1.267.339.920 22.050


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 49 47
quadratic 2 2.353 2.303
cubic 3 76.097 75.999
quartic 4 1.882.825 1.881.551
quintic 5 37.644.985 37.642.535
sextic 6 633.680.985 633.658.935


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