Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 144 0
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 138 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 72 72 144
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 70 68 138



Molecule Parameter
Number of Atoms (N) 48
Number of internal coordinates 138
Number of independant internal coordinates 70
Number of vibrational modes 138





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 70 68 138 / 0
Quadratic (Raman) 70 68 138 / 0
IR + Raman 70 68 138 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 138 2
quadratic 2 9.591 71
cubic 3 447.580 140
quartic 4 15.777.195 2.555
quintic 5 448.072.338 4.970
sextic 6 10.679.057.389 62.125


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 70 68
quadratic 2 4.831 4.760
cubic 3 223.860 223.720
quartic 4 7.889.875 7.887.320
quintic 5 224.038.654 224.033.684
sextic 6 5.339.559.757 5.339.497.632


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