Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 78 -6
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 72 -4



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 36 42 78
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 34 38 72



Molecule Parameter
Number of Atoms (N) 26
Number of internal coordinates 72
Number of independant internal coordinates 34
Number of vibrational modes 72





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 34 38 72 / 0
Quadratic (Raman) 34 38 72 / 0
IR + Raman 34 38 72 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 72 -4
quadratic 2 2.628 44
cubic 3 64.824 -156
quartic 4 1.215.450 970
quintic 5 18.474.840 -3.116
sextic 6 237.093.780 14.364


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 34 38
quadratic 2 1.336 1.292
cubic 3 32.334 32.490
quartic 4 608.210 607.240
quintic 5 9.235.862 9.238.978
sextic 6 118.554.072 118.539.708


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