Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 39 -5
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 33 -3



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 17 22 39
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 15 18 33



Molecule Parameter
Number of Atoms (N) 13
Number of internal coordinates 33
Number of independant internal coordinates 15
Number of vibrational modes 33





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 15 18 33 / 0
Quadratic (Raman) 15 18 33 / 0
IR + Raman 15 18 33 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 33 -3
quadratic 2 561 21
cubic 3 6.545 -55
quartic 4 58.905 225
quintic 5 435.897 -531
sextic 6 2.760.681 1.653


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 15 18
quadratic 2 291 270
cubic 3 3.245 3.300
quartic 4 29.565 29.340
quintic 5 217.683 218.214
sextic 6 1.381.167 1.379.514


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