Reduction formula for point group C2h



Characters for molecular motions
Motion E C2 (z) i h
Cartesian 3N 156 0 0 4
Translation (x,y,z) 3 -1 -3 1
Rotation (Rx,Ry,Rz) 3 -1 3 -1
Vibration 150 2 0 4



Decomposition into Irreducible representations
Motion Ag Bg Au Bu Total
Cartesian 3N 40 38 38 40 156
Translation (x,y,z) 0 0 1 2 3
Rotation (Rx,Ry,Rz) 1 2 0 0 3
Vibration 39 36 37 38 150



Molecule Parameter
Number of Atoms (N) 52
Number of internal coordinates 150
Number of independant internal coordinates 39
Number of vibrational modes 150




Force field analysis


Allowed / forbidden vibronational transitions
Operator Ag Bg Au Bu Total
Linear (IR) 39 36 37 38 75 / 75
Quadratic (Raman) 39 36 37 38 75 / 75
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 1 150 2 0 4
quadratic 2 11.325 77 75 83
cubic 3 573.800 152 0 312
quartic 4 21.947.850 3.002 2.850 3.466
quintic 5 675.993.780 5.852 0 12.320
sextic 6 17.463.172.650 79.002 73.150 97.174


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order		 Ag Bg Au Bu
linear 1 39 36 37 38
quadratic 2 2.890 2.810 2.811 2.814
cubic 3 143.566 143.334 143.410 143.490
quartic 4 5.489.292 5.486.058 5.486.134 5.486.366
quintic 5 169.002.988 168.993.902 168.996.828 169.000.062
sextic 6 4.365.855.494 4.365.767.406 4.365.770.332 4.365.779.418


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