Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 156 0
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 150 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 78 78 156
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 76 74 150



Molecule Parameter
Number of Atoms (N) 52
Number of internal coordinates 150
Number of independant internal coordinates 76
Number of vibrational modes 150





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 76 74 150 / 0
Quadratic (Raman) 76 74 150 / 0
IR + Raman 76 74 150 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 150 2
quadratic 2 11.325 77
cubic 3 573.800 152
quartic 4 21.947.850 3.002
quintic 5 675.993.780 5.852
sextic 6 17.463.172.650 79.002


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 76 74
quadratic 2 5.701 5.624
cubic 3 286.976 286.824
quartic 4 10.975.426 10.972.424
quintic 5 337.999.816 337.993.964
sextic 6 8.731.625.826 8.731.546.824


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