Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 78 0
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 72 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 39 39 78
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 37 35 72



Molecule Parameter
Number of Atoms (N) 26
Number of internal coordinates 72
Number of independant internal coordinates 37
Number of vibrational modes 72





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 37 35 72 / 0
Quadratic (Raman) 37 35 72 / 0
IR + Raman 37 35 72 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 72 2
quadratic 2 2.628 38
cubic 3 64.824 74
quartic 4 1.215.450 740
quintic 5 18.474.840 1.406
sextic 6 237.093.780 9.842


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 37 35
quadratic 2 1.333 1.295
cubic 3 32.449 32.375
quartic 4 608.095 607.355
quintic 5 9.238.123 9.236.717
sextic 6 118.551.811 118.541.969


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