Reduction formula for point group C2h



Characters for molecular motions
Motion E C2 (z) i h
Cartesian 3N 72 -2 0 2
Translation (x,y,z) 3 -1 -3 1
Rotation (Rx,Ry,Rz) 3 -1 3 -1
Vibration 66 0 0 2



Decomposition into Irreducible representations
Motion Ag Bg Au Bu Total
Cartesian 3N 18 18 17 19 72
Translation (x,y,z) 0 0 1 2 3
Rotation (Rx,Ry,Rz) 1 2 0 0 3
Vibration 17 16 16 17 66



Molecule Parameter
Number of Atoms (N) 24
Number of internal coordinates 66
Number of independant internal coordinates 17
Number of vibrational modes 66





Force field analysis


Allowed / forbidden vibronational transitions
Operator Ag Bg Au Bu Total
Linear (IR) 17 16 16 17 33 / 33
Quadratic (Raman) 17 16 16 17 33 / 33
IR + Raman - - - - 0* / 0
* Center of inversion: Mutual Exclusion Principle



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2 (z) i h
linear 1 66 0 0 2
quadratic 2 2.211 33 33 35
cubic 3 50.116 0 0 68
quartic 4 864.501 561 561 629
quintic 5 12.103.014 0 0 1.190
sextic 6 143.218.999 6.545 6.545 7.735


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
Ag Bg Au Bu
linear 1 17 16 16 17
quadratic 2 578 544 544 545
cubic 3 12.546 12.512 12.512 12.546
quartic 4 216.563 215.968 215.968 216.002
quintic 5 3.026.051 3.025.456 3.025.456 3.026.051
sextic 6 35.809.956 35.802.816 35.802.816 35.803.411


Literature




Character tables for chemically important point groups Character table for point group C2h Constructor University Bremen

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