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