Results for Point Group D28d



Force field analysis


Allowed / forbidden vibronational transitions
Operator A1 A2 B1 B2 E1 E2 E3 E4 E5 E6 E7 E8 E9 E10 E11 E12 E13 E14 E15 E16 E17 E18 E19 E20 E21 E22 E23 E24 E25 E26 E27 Total
Linear (IR) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 / 2
Quadratic (Raman) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 / 1
IR + Raman - - - - 0 0 - - - - - - - - - - - - 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - - - 0 0 1 - - - - 0 / 1


Characters of force fields
(Symmetric powers of vibration representation)
Force field E 2S56 2C28 2(S56)3 2C14 2(S56)5 2(C28)3 2S8 2C7 2(S56)9 2(C28)5 2(S56)11 2(C14)3 2(S56)13 2C4 2(S56)15 2(C7)2 2(S56)17 2(C28)9 2(S56)19 2(C14)5 2(S8)3 2(C28)11 2(S56)23 2(C7)3 2(S56)25 2(C28)13 2(S56)27 C2 28C'2 28σd
linear 4 -3.937 3.752 -3.451 3.049 -2.561 2.009 -1.414 0.802 -0.196 -0.379 0.903 -1.357 1.726 -2 2.174 -2.247 2.224 -2.115 1.932 -1.692 1.414 -1.119 0.826 -0.555 0.324 -0.148 0.038 0 0 0
quadratic 10 9.627 8.562 6.961 5.049 3.090 1.339 -0.000 -0.802 -1.038 -0.774 -0.152 0.643 1.415 2 2.289 2.247 1.914 1.390 0.809 0.308 0.000 -0.053 0.151 0.555 1.057 1.535 1.877 2 2 2
cubic 20 -18.709 15.191 -10.384 5.494 -1.590 -0.717 1.414 -1.000 0.219 0.262 -0.107 -0.604 1.471 -2 1.852 -1.000 -0.264 1.463 -2.154 2.110 -1.414 0.399 0.513 -1.000 0.975 -0.599 0.179 0 0 0
quartic 35 31.605 22.859 12.286 3.604 -1.090 -2.015 -1.000 -0.000 0.113 -0.245 -0.135 0.890 2.304 3 2.175 0.000 -2.445 -3.907 -3.792 -2.494 -1.000 -0.126 0.025 0.000 0.427 1.434 2.527 3 3 3
quintic 56 -48.485 30.381 -11.554 -0.000 2.954 -1.434 -0.000 0.000 0.142 0.525 -1.058 -0.000 2.395 -4 3.016 0.000 -2.605 2.927 -1.400 0.000 -0.000 0.798 -0.952 -0.000 1.085 -1.198 0.463 0 0 0
sextic 84 69.248 36.380 7.922 -3.604 -2.803 -0.227 0.000 0.000 0.845 0.701 -0.770 -0.890 1.654 4 2.994 0.000 -0.880 1.367 3.412 2.494 -0.000 -1.122 -0.527 0.000 0.017 0.901 2.886 4 4 4




Error: Reduction failed

Reduction to integer numbers for irreducible representations failed.
Error Code: 1

Decomposition to irreducible representations
Column with number of nonvanshing force constants highlighted
Force field A1 A2 B1 B2 E1 E2 E3 E4 E5 E6 E7 E8 E9 E10 E11 E12 E13 E14 E15 E16 E17 E18 E19 E20 E21 E22 E23 E24 E25 E26 E27
linear
Characters of reducible representation
E 2S56 2C28 2(S56)3 2C14 2(S56)5 2(C28)3 2S8 2C7 2(S56)9 2(C28)5 2(S56)11 2(C14)3 2(S56)13 2C4 2(S56)15 2(C7)2 2(S56)17 2(C28)9 2(S56)19 2(C14)5 2(S8)3 2(C28)11 2(S56)23 2(C7)3 2(S56)25 2(C28)13 2(S56)27 C2 28C'2 28σd
0 -3.937 3.752 -3.451 3.049 -2.561 2.009 -1.414 0.802 -0.196 -0.379 0.903 -1.357 1.726 -2 2.174 -2.247 2.224 -2.115 1.932 -1.692 1.414 -1.119 0.826 -0.555 0.324 -0.148 0.038 0 0 0